2-chloro-1-(4-methoxyphenyl)ethanol

C9H11ClO2 — CID 12862876

IUPAC2-chloro-1-(4-methoxyphenyl)ethanol
SMILESCOc1ccc(C(O)CCl)cc1
InChIInChI=1S/C9H11ClO2/c1-12-8-4-2-7(3-5-8)9(11)6-10/h2-5,9,11H,6H2,1H3
InChIKeyIXDKUPFFQWYOHD-UHFFFAOYSA-N
MW186.64 g/mol
LogP1.97
Rot. Bonds3

About 2-chloro-1-(4-methoxyphenyl)ethanol

2-chloro-1-(4-methoxyphenyl)ethanol (PubChem CID 12862876) has the molecular formula C9H11ClO2 and a molecular weight of 186.64 g/mol. Its IUPAC name is 2-chloro-1-(4-methoxyphenyl)ethanol.

Molecular Properties

Compound Name2-chloro-1-(4-methoxyphenyl)ethanol
PubChem CID12862876
Molecular FormulaC9H11ClO2
Molecular Weight186.64 g/mol
Exact Mass186.04
IUPAC Name2-chloro-1-(4-methoxyphenyl)ethanol
SMILESCOc1ccc(C(O)CCl)cc1
InChIInChI=1S/C9H11ClO2/c1-12-8-4-2-7(3-5-8)9(11)6-10/h2-5,9,11H,6H2,1H3
InChIKeyIXDKUPFFQWYOHD-UHFFFAOYSA-N
XLogP1.97
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.64
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-(4-methoxyphenyl)(213C)ethane-1,2-diol
CID 101170566
(1R,3S)-1-(4-methoxyphenyl)butane-1,3-diol
CID 101493823
2-chloro-1-(4-propoxyphenyl)ethanol
CID 83001734
(1R)-3,3-dimethoxy-1-(4-methoxyphenyl)propan-1-ol
CID 11572126
1-(4-methoxyphenyl)-4-methylpentan-1-ol
CID 61101415
1-(4-methoxyphenyl)pentan-1-ol
CID 10176510
chloro-(4-methoxyphenyl)methanol
CID 130923369
(1S)-1-(4-methoxyphenyl)hexan-1-ol
CID 102325483
3-methoxy-1-(4-methoxyphenyl)-3-methylbutan-1-ol
CID 103027413
3-amino-1-(4-methoxyphenyl)butan-1-ol
CID 81462602
2-hydrazinyl-1-(4-methoxyphenyl)ethanol
CID 21361112
(1S)-1-(4-methoxyphenyl)pentane-1,5-diol
CID 92859928

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-(4-methoxyphenyl)ethanol?
The IUPAC name of 2-chloro-1-(4-methoxyphenyl)ethanol (CID 12862876) is 2-chloro-1-(4-methoxyphenyl)ethanol.
What is the SMILES notation for 2-chloro-1-(4-methoxyphenyl)ethanol?
The canonical SMILES for 2-chloro-1-(4-methoxyphenyl)ethanol is COc1ccc(C(O)CCl)cc1.
What is the InChIKey of 2-chloro-1-(4-methoxyphenyl)ethanol?
The InChIKey is IXDKUPFFQWYOHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClO2/c1-12-8-4-2-7(3-5-8)9(11)6-10/h2-5,9,11H,6H2,1H3.
What are the key properties of 2-chloro-1-(4-methoxyphenyl)ethanol?
2-chloro-1-(4-methoxyphenyl)ethanol has a molecular weight of 186.64 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-(4-methoxyphenyl)ethanol is sourced from PubChem (CID 12862876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).