(2R)-2-(3-chloro-2-methylphenyl)pentan-2-ol

C12H17ClO — CID 97294320

IUPAC(2R)-2-(3-chloro-2-methylphenyl)pentan-2-ol
SMILESCCC[C@@](C)(O)c1cccc(Cl)c1C
InChIInChI=1S/C12H17ClO/c1-4-8-12(3,14)10-6-5-7-11(13)9(10)2/h5-7,14H,4,8H2,1-3H3/t12-/m1/s1
InChIKeyMBGYPGCDYYZAKL-GFCCVEGCSA-N
MW212.72 g/mol
LogP3.66
Rot. Bonds3

About (2R)-2-(3-chloro-2-methylphenyl)pentan-2-ol

(2R)-2-(3-chloro-2-methylphenyl)pentan-2-ol (PubChem CID 97294320) has the molecular formula C12H17ClO and a molecular weight of 212.72 g/mol. Its IUPAC name is (2R)-2-(3-chloro-2-methylphenyl)pentan-2-ol.

Molecular Properties

Compound Name(2R)-2-(3-chloro-2-methylphenyl)pentan-2-ol
PubChem CID97294320
Molecular FormulaC12H17ClO
Molecular Weight212.72 g/mol
Exact Mass212.10
IUPAC Name(2R)-2-(3-chloro-2-methylphenyl)pentan-2-ol
SMILESCCC[C@@](C)(O)c1cccc(Cl)c1C
InChIInChI=1S/C12H17ClO/c1-4-8-12(3,14)10-6-5-7-11(13)9(10)2/h5-7,14H,4,8H2,1-3H3/t12-/m1/s1
InChIKeyMBGYPGCDYYZAKL-GFCCVEGCSA-N
XLogP3.66
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.72
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3-chloro-2-methylphenyl)-2-methylpropan-1-ol
CID 117288137
2-(3-chloro-2-methylphenyl)-3-methylbutan-2-ol
CID 91657388
1,3-diamino-2-(3-chloro-2-methylphenyl)propan-2-ol
CID 57039824
1-(2-chlorophenyl)butane-1,1-diol
CID 150424149
4-amino-2-(2-chlorophenyl)butan-2-ol;hydrochloride
CID 140625468
2-(3-bromo-2-fluorophenyl)pentan-2-ol
CID 106644500
(2R)-2-(3-chlorophenyl)pentan-2-ol
CID 93299128
1-(3-chloro-2-methylanilino)-2-methylbutan-2-ol
CID 114492530
2-(4-chlorophenyl)pentan-2-ol
CID 23555553
2-(2-chlorophenyl)propan-2-ol
CID 12759846
2,6-bis(2-methylpentan-2-yl)phenol
CID 19809768
(2R)-2-(3-methylphenyl)pentan-2-ol
CID 93299051

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3-chloro-2-methylphenyl)pentan-2-ol?
The IUPAC name of (2R)-2-(3-chloro-2-methylphenyl)pentan-2-ol (CID 97294320) is (2R)-2-(3-chloro-2-methylphenyl)pentan-2-ol.
What is the SMILES notation for (2R)-2-(3-chloro-2-methylphenyl)pentan-2-ol?
The canonical SMILES for (2R)-2-(3-chloro-2-methylphenyl)pentan-2-ol is CCC[C@@](C)(O)c1cccc(Cl)c1C.
What is the InChIKey of (2R)-2-(3-chloro-2-methylphenyl)pentan-2-ol?
The InChIKey is MBGYPGCDYYZAKL-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H17ClO/c1-4-8-12(3,14)10-6-5-7-11(13)9(10)2/h5-7,14H,4,8H2,1-3H3/t12-/m1/s1.
What are the key properties of (2R)-2-(3-chloro-2-methylphenyl)pentan-2-ol?
(2R)-2-(3-chloro-2-methylphenyl)pentan-2-ol has a molecular weight of 212.72 g/mol, XLogP of 3.66, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3-chloro-2-methylphenyl)pentan-2-ol is sourced from PubChem (CID 97294320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).