1- (3-Hydroxypropyl) -2-methoxycyclohexan-1-ol

CAT: 0926-LWC21549-02Size: 0.5 gDry Ice: NoHazardous: No

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CAT#:0926-LWC21549-02Size:0.5 g

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CAS Number

1786215-49-3

MDL Number

MFCD24506101

Smiles

COC1CCCCC1 (CCCO) O

Molecular Formula

C10H20O3

Molecular Weight

188.26 g/mol

Controlled

Chemical Information

1-(3-Hydroxypropyl)-2-methoxycyclohexan-1-ol

CAS Number	1786215-49-3
PubChem CID	86767786
IUPAC Name	1-(3-hydroxypropyl)-2-methoxycyclohexan-1-ol
Molecular Formula	C10H20O3
Molecular Weight	188.26
XLogP	0.6
Topological Polar Surface Area	49.7
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Heavy Atom Count	13
Formal Charge	0
Complexity	149

SMILES

COC1CCCCC1(CCCO)O

InChI

InChI=1S/C10H20O3/c1-13-9-5-2-3-6-10(9,12)7-4-8-11/h9,11-12H,2-8H2,1H3

InChIKey

NHUOPUCYKMHCGO-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1786215-49-3

CID: 86767786

Formula: C10H20O3

MW: 188.26

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	188.26
XLogP3	0.6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	188.14124450
Monoisotopic Mass	188.14124450
Topological Polar Surface Area	49.7 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	149
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
PDA79453	3-methoxycyclohexan-1-ol
CAA97924	2-Methoxycyclohexan-1-ol, iastereomers
IXB32830-01	1- (2-Hydroxypropyl) piperidin-4-ol
QEA89342-01	2-[ (2-Hydroxypropyl) amino]propan-1-ol
GGD25862-01	3-[1- (3-Hydroxypropyl) cyclopropyl]propan-1-ol
RBA00985-01	3-[3- (3-Hydroxypropyl) phenyl]propan-1-ol
JGB15973-01	1-{[3- (2,5-Dichlorophenoxy) -2-hydroxypropyl]amino}propan-2-ol
WCA53322-01	1- (3-Hydroxypropyl) piperidin-2-one
MCA45611-01	2- (3-Hydroxypropyl) cyclohexan-1-one
ABA51424-01	1- (3-Hydroxypropyl) -1,2-dihydropyridin-2-one

Catalog	Name
OR304362-01	1- (3-Hydroxypropyl) cyclobutan-1-ol
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OR1054972-01	(1S,3R) -3-Methoxycyclohexan-1-amine hydrochloride
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sc-272956	1- (3-Hydroxypropyl) pyrrolidin-2-one
OR1046783-01	2- (2-Hydroxypropyl) isoindoline-1,3-dione
TRC-C592035-10G	1-(3-Chloro-2-hydroxypropyl)-2-nitroimidazole