2-chloro-1-(3-chloro-4-phenylmethoxyphenyl)ethanol

C15H14Cl2O2 — CID 23191762

IUPAC2-chloro-1-(3-chloro-4-phenylmethoxyphenyl)ethanol
SMILESOC(CCl)c1ccc(OCc2ccccc2)c(Cl)c1
InChIInChI=1S/C15H14Cl2O2/c16-9-14(18)12-6-7-15(13(17)8-12)19-10-11-4-2-1-3-5-11/h1-8,14,18H,9-10H2
InChIKeyHVSDCCJPSOCVNT-UHFFFAOYSA-N
MW297.18 g/mol
LogP4.19
Rot. Bonds5

About 2-chloro-1-(3-chloro-4-phenylmethoxyphenyl)ethanol

2-chloro-1-(3-chloro-4-phenylmethoxyphenyl)ethanol (PubChem CID 23191762) has the molecular formula C15H14Cl2O2 and a molecular weight of 297.18 g/mol. Its IUPAC name is 2-chloro-1-(3-chloro-4-phenylmethoxyphenyl)ethanol.

Molecular Properties

Compound Name2-chloro-1-(3-chloro-4-phenylmethoxyphenyl)ethanol
PubChem CID23191762
Molecular FormulaC15H14Cl2O2
Molecular Weight297.18 g/mol
Exact Mass296.04
IUPAC Name2-chloro-1-(3-chloro-4-phenylmethoxyphenyl)ethanol
SMILESOC(CCl)c1ccc(OCc2ccccc2)c(Cl)c1
InChIInChI=1S/C15H14Cl2O2/c16-9-14(18)12-6-7-15(13(17)8-12)19-10-11-4-2-1-3-5-11/h1-8,14,18H,9-10H2
InChIKeyHVSDCCJPSOCVNT-UHFFFAOYSA-N
XLogP4.19
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.18
LogP ≤ 54.19
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-(3-chloro-4-phenylmethoxyphenyl)butan-1-ol
CID 83952820
2-chloro-1-(3-nitro-4-phenylmethoxyphenyl)ethanol
CID 23434718
1-(3-chloro-4-phenylmethoxyphenyl)ethane-1,2-diamine
CID 170894576
1-(3-chloro-4-phenylmethoxyphenyl)propan-1-amine
CID 82550716
methyl (2S,3S)-2-amino-3-(3-chloro-4-phenylmethoxyphenyl)-3-hydroxypropanoate
CID 11256154
2-chloro-4-fluoro-1-phenylmethoxybenzene
CID 58086731
N-[1-(3-chloro-4-phenylmethoxyphenyl)ethyl]propan-1-amine
CID 63533463
3-[3,4-bis(phenylmethoxy)phenyl]-3-hydroxypropanoic acid
CID 142645838
3-chloro-4-phenylmethoxybenzoic acid;hydrochloride
CID 67898851
(1R)-2-bromo-1-(3-methyl-4-phenylmethoxyphenyl)ethanol;ethane
CID 91382169
(1R)-2-amino-1-(3-fluoro-4-phenylmethoxyphenyl)ethanol
CID 68939021
(1R)-2-bromo-1-(3-methyl-4-phenylmethoxyphenyl)ethanol
CID 59964196

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-(3-chloro-4-phenylmethoxyphenyl)ethanol?
The IUPAC name of 2-chloro-1-(3-chloro-4-phenylmethoxyphenyl)ethanol (CID 23191762) is 2-chloro-1-(3-chloro-4-phenylmethoxyphenyl)ethanol.
What is the SMILES notation for 2-chloro-1-(3-chloro-4-phenylmethoxyphenyl)ethanol?
The canonical SMILES for 2-chloro-1-(3-chloro-4-phenylmethoxyphenyl)ethanol is OC(CCl)c1ccc(OCc2ccccc2)c(Cl)c1.
What is the InChIKey of 2-chloro-1-(3-chloro-4-phenylmethoxyphenyl)ethanol?
The InChIKey is HVSDCCJPSOCVNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2O2/c16-9-14(18)12-6-7-15(13(17)8-12)19-10-11-4-2-1-3-5-11/h1-8,14,18H,9-10H2.
What are the key properties of 2-chloro-1-(3-chloro-4-phenylmethoxyphenyl)ethanol?
2-chloro-1-(3-chloro-4-phenylmethoxyphenyl)ethanol has a molecular weight of 297.18 g/mol, XLogP of 4.19, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-(3-chloro-4-phenylmethoxyphenyl)ethanol is sourced from PubChem (CID 23191762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).