2-Isopropyl-4-methylphenol

CAT: 0127-OR1071982-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1071982-01Size:100 mg

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CAS Number

4427-56-9

MDL Number

MFCD00151522

Purity

95%

Smiles

OC1=CC=C(C)C=C1C(C)C

Chemical Information

2-Isopropyl-p-cresol

2-isopropyl-p-cresol has been reported in Lippia origanoides, Duhaldea cappa, and Lippia graveolens with data available.

CAS Number	4427-56-9
PubChem CID	78153
IUPAC Name	4-methyl-2-propan-2-ylphenol
Molecular Formula	C10H14O
Molecular Weight	150.22
XLogP	3.1
Topological Polar Surface Area	20.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Heavy Atom Count	11
Formal Charge	0
Complexity	120

SMILES

CC1=CC(=C(C=C1)O)C(C)C

InChI

InChI=1S/C10H14O/c1-7(2)9-6-8(3)4-5-10(9)11/h4-7,11H,1-3H3

InChIKey

DSTPUJAJSXTJHM-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 4427-56-9

CID: 78153

Formula: C10H14O

MW: 150.22

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	150.22
XLogP3	3.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	150.104465066
Monoisotopic Mass	150.104465066
Topological Polar Surface Area	20.2 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	120
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
OR917093-01	4-Isopropyl-3-methylphenol
OR1046357-01	2-Isopropyl-4-methoxy-5-methylphenol
OR75866-01	4-Amino-2-isopropyl-5-methylphenol
OR916910-01	4-Chloro-2-isopropyl-5-methylphenol
OR1096564	4-bromo-5-isopropyl-2-methylphenol
OR1091855	2-isopropyl-6-methylphenol
OR350209-01	5-Isopropyl-2-methylphenol
OR451415-01	4-Amino-2-isopropyl-5-methylphenol hydrochloride
OR1099067-01	2-bromo-6-isopropyl-3-methylphenol
OR1072683-01	3-Isopropyl-5-methylphenol

Catalog	Name
RG-A260413-01	2-Isopropyl-4-Methylphenol
T207075-01	4-Isopropyl-2-methylphenol
RG-I191540-01	4-isopropyl-3-methylphenol
QAA06234-01	4-Bromo-2-isopropyl-5-methylphenol
TRC-C597088-5G	4-Chloro-2-isopropyl-5-methylphenol
sc-357863B	5-Isopropyl-2-methylphenol
RG-A260414-01	2-Isopropyl-6-Methylphenol
sc-277006	4-Amino-2-isopropyl-5-methylphenol hydrochloride
TRC-I872630-25G	5-Isopropyl-3-methylphenol
VAA94571-01	4-Methanesulfonyl-2-methylphenol