1-[(4-chlorophenyl)methoxy]ethanol

C9H11ClO2 — CID 134444684

IUPAC1-[(4-chlorophenyl)methoxy]ethanol
SMILESCC(O)OCc1ccc(Cl)cc1
InChIInChI=1S/C9H11ClO2/c1-7(11)12-6-8-2-4-9(10)5-3-8/h2-5,7,11H,6H2,1H3
InChIKeyBJGUUVIDBWMFBL-UHFFFAOYSA-N
MW186.64 g/mol
LogP2.19
Rot. Bonds3

About 1-[(4-chlorophenyl)methoxy]ethanol

1-[(4-chlorophenyl)methoxy]ethanol (PubChem CID 134444684) has the molecular formula C9H11ClO2 and a molecular weight of 186.64 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methoxy]ethanol.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methoxy]ethanol
PubChem CID134444684
Molecular FormulaC9H11ClO2
Molecular Weight186.64 g/mol
Exact Mass186.04
IUPAC Name1-[(4-chlorophenyl)methoxy]ethanol
SMILESCC(O)OCc1ccc(Cl)cc1
InChIInChI=1S/C9H11ClO2/c1-7(11)12-6-8-2-4-9(10)5-3-8/h2-5,7,11H,6H2,1H3
InChIKeyBJGUUVIDBWMFBL-UHFFFAOYSA-N
XLogP2.19
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 ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 1-[(4-chlorophenyl)methoxy]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-chloro-4-(propan-2-yloxymethyl)benzene
CID 23548339
1-[[4-(hydroxymethyl)phenyl]methoxy]ethanol
CID 58225169
1-chloro-4-(1-ethoxyethoxymethyl)benzene
CID 19994952
2-[(4-chlorophenyl)methoxy]-N-propan-2-ylpropan-1-amine
CID 65125262
(1R)-1-[[4-(trifluoromethyl)phenyl]methoxy]ethanol
CID 162576270
3-[(4-chlorophenyl)methoxy]-2-methylbutanoic acid
CID 174667439
N'-(4-chlorobenzoyl)-4-(propan-2-yloxymethyl)benzohydrazide
CID 8621672
4-[(4-chlorophenyl)methoxy]pentanoic acid
CID 65127017
(4-chlorophenyl)methyl (2S)-2-aminopropanoate
CID 54528186
1-phenylmethoxyethanol;propane-1,2,3-triol
CID 157415371
1-(4-chlorophenyl)-3-methylbutan-2-ol
CID 60797754
(2S)-3-chloro-4-(4-chlorophenyl)butan-2-ol
CID 131029128

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methoxy]ethanol?
The IUPAC name of 1-[(4-chlorophenyl)methoxy]ethanol (CID 134444684) is 1-[(4-chlorophenyl)methoxy]ethanol.
What is the SMILES notation for 1-[(4-chlorophenyl)methoxy]ethanol?
The canonical SMILES for 1-[(4-chlorophenyl)methoxy]ethanol is CC(O)OCc1ccc(Cl)cc1.
What is the InChIKey of 1-[(4-chlorophenyl)methoxy]ethanol?
The InChIKey is BJGUUVIDBWMFBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClO2/c1-7(11)12-6-8-2-4-9(10)5-3-8/h2-5,7,11H,6H2,1H3.
What are the key properties of 1-[(4-chlorophenyl)methoxy]ethanol?
1-[(4-chlorophenyl)methoxy]ethanol has a molecular weight of 186.64 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methoxy]ethanol is sourced from PubChem (CID 134444684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).