(3-chloro-2-ethylphenyl)methanol

C9H11ClO — CID 118269686

IUPAC(3-chloro-2-ethylphenyl)methanol
SMILESCCc1c(Cl)cccc1CO
InChIInChI=1S/C9H11ClO/c1-2-8-7(6-11)4-3-5-9(8)10/h3-5,11H,2,6H2,1H3
InChIKeyLAHVFAITCSKCIS-UHFFFAOYSA-N
MW170.64 g/mol
LogP2.39
Rot. Bonds2

About (3-chloro-2-ethylphenyl)methanol

(3-chloro-2-ethylphenyl)methanol (PubChem CID 118269686) has the molecular formula C9H11ClO and a molecular weight of 170.64 g/mol. Its IUPAC name is (3-chloro-2-ethylphenyl)methanol.

Molecular Properties

Compound Name(3-chloro-2-ethylphenyl)methanol
PubChem CID118269686
Molecular FormulaC9H11ClO
Molecular Weight170.64 g/mol
Exact Mass170.05
IUPAC Name(3-chloro-2-ethylphenyl)methanol
SMILESCCc1c(Cl)cccc1CO
InChIInChI=1S/C9H11ClO/c1-2-8-7(6-11)4-3-5-9(8)10/h3-5,11H,2,6H2,1H3
InChIKeyLAHVFAITCSKCIS-UHFFFAOYSA-N
XLogP2.39
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.64
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(bromomethyl)-3-chloro-2-ethylbenzene
CID 22641961
2-ethyl-3-(hydroxymethyl)benzoic acid
CID 141102852
3-(3-chloro-2-ethylphenyl)-2-methylpropanal
CID 91884073
1-bromo-3-chloro-2-ethylbenzene
CID 54267312
[2-[(2,6-dichlorophenyl)methylamino]phenyl]methanol
CID 43229623
(3-chloro-2-methoxyphenyl)methanol
CID 54184130
1-bromo-3-(2-chloro-6-ethylphenyl)propan-2-one
CID 134616253
[2-(hydroxymethyl)-3-propylphenyl]methanol
CID 118644202
2-(2,6-dichlorophenyl)-N-(2,6-diethylphenyl)acetamide
CID 7700454
(2-tert-butyl-3-ethylphenyl)methanol
CID 158088532
2-(3-bromopropyl)-1-chloro-3-ethylbenzene
CID 118841377
N-(3-chloro-2-ethylphenyl)acetamide
CID 67890650

Frequently Asked Questions

What is the IUPAC name of (3-chloro-2-ethylphenyl)methanol?
The IUPAC name of (3-chloro-2-ethylphenyl)methanol (CID 118269686) is (3-chloro-2-ethylphenyl)methanol.
What is the SMILES notation for (3-chloro-2-ethylphenyl)methanol?
The canonical SMILES for (3-chloro-2-ethylphenyl)methanol is CCc1c(Cl)cccc1CO.
What is the InChIKey of (3-chloro-2-ethylphenyl)methanol?
The InChIKey is LAHVFAITCSKCIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClO/c1-2-8-7(6-11)4-3-5-9(8)10/h3-5,11H,2,6H2,1H3.
What are the key properties of (3-chloro-2-ethylphenyl)methanol?
(3-chloro-2-ethylphenyl)methanol has a molecular weight of 170.64 g/mol, XLogP of 2.39, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-2-ethylphenyl)methanol is sourced from PubChem (CID 118269686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).