(1S)-1-(2-chloro-3-methoxyphenyl)ethanol

C9H11ClO2 — CID 124638298

IUPAC(1S)-1-(2-chloro-3-methoxyphenyl)ethanol
SMILESCOc1cccc([C@H](C)O)c1Cl
InChIInChI=1S/C9H11ClO2/c1-6(11)7-4-3-5-8(12-2)9(7)10/h3-6,11H,1-2H3/t6-/m0/s1
InChIKeyUAHWQPDEDJTOSY-LURJTMIESA-N
MW186.64 g/mol
LogP2.40
Rot. Bonds2

About (1S)-1-(2-chloro-3-methoxyphenyl)ethanol

(1S)-1-(2-chloro-3-methoxyphenyl)ethanol (PubChem CID 124638298) has the molecular formula C9H11ClO2 and a molecular weight of 186.64 g/mol. Its IUPAC name is (1S)-1-(2-chloro-3-methoxyphenyl)ethanol.

Molecular Properties

Compound Name(1S)-1-(2-chloro-3-methoxyphenyl)ethanol
PubChem CID124638298
Molecular FormulaC9H11ClO2
Molecular Weight186.64 g/mol
Exact Mass186.04
IUPAC Name(1S)-1-(2-chloro-3-methoxyphenyl)ethanol
SMILESCOc1cccc([C@H](C)O)c1Cl
InChIInChI=1S/C9H11ClO2/c1-6(11)7-4-3-5-8(12-2)9(7)10/h3-6,11H,1-2H3/t6-/m0/s1
InChIKeyUAHWQPDEDJTOSY-LURJTMIESA-N
XLogP2.40
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.64
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(S)-(2-amino-5-fluorophenyl)-(2-chloro-3-methoxyphenyl)methanol
CID 129394991
(S)-(2-amino-5-methylphenyl)-(2-chloro-3-methoxyphenyl)methanol
CID 129395416
1-chloro-1-(2-methoxyphenyl)propan-2-ol
CID 69345469
1-(2-chloro-3-methoxyphenyl)butan-1-amine
CID 86262887
1-[2-(2-methoxyphenyl)sulfanylphenyl]ethanol
CID 63835196
S-[3-(2-chloro-3-methoxyphenyl)-2,3-dihydroxypropyl] ethanethioate
CID 170823162
(2-chloro-3-fluorophenyl)-(2,6-dimethoxyphenyl)methanol
CID 115838575
(1R)-1-(5-fluoro-2-methoxyphenyl)ethanol
CID 26597266
(R)-(5-chloro-1,3-dimethylpyrazol-4-yl)-(2-chloro-3-methoxyphenyl)methanol
CID 95559607
(1S)-1-(2-methoxyphenyl)ethanethiol
CID 28974918
4-(2-chloro-3-methoxyphenyl)-2-hydroxy-2-(trifluoromethyl)pentanal
CID 174580312
1-(3-chloro-2,4,5-trimethoxyphenyl)ethanol
CID 84705859

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(2-chloro-3-methoxyphenyl)ethanol?
The IUPAC name of (1S)-1-(2-chloro-3-methoxyphenyl)ethanol (CID 124638298) is (1S)-1-(2-chloro-3-methoxyphenyl)ethanol.
What is the SMILES notation for (1S)-1-(2-chloro-3-methoxyphenyl)ethanol?
The canonical SMILES for (1S)-1-(2-chloro-3-methoxyphenyl)ethanol is COc1cccc([C@H](C)O)c1Cl.
What is the InChIKey of (1S)-1-(2-chloro-3-methoxyphenyl)ethanol?
The InChIKey is UAHWQPDEDJTOSY-LURJTMIESA-N. The full InChI is InChI=1S/C9H11ClO2/c1-6(11)7-4-3-5-8(12-2)9(7)10/h3-6,11H,1-2H3/t6-/m0/s1.
What are the key properties of (1S)-1-(2-chloro-3-methoxyphenyl)ethanol?
(1S)-1-(2-chloro-3-methoxyphenyl)ethanol has a molecular weight of 186.64 g/mol, XLogP of 2.40, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(2-chloro-3-methoxyphenyl)ethanol is sourced from PubChem (CID 124638298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).