1-(3-chloro-4-phenylmethoxyphenyl)butan-1-ol

C17H19ClO2 — CID 83952820

IUPAC1-(3-chloro-4-phenylmethoxyphenyl)butan-1-ol
SMILESCCCC(O)c1ccc(OCc2ccccc2)c(Cl)c1
InChIInChI=1S/C17H19ClO2/c1-2-6-16(19)14-9-10-17(15(18)11-14)20-12-13-7-4-3-5-8-13/h3-5,7-11,16,19H,2,6,12H2,1H3
InChIKeyFYEQYMYCCRNCEF-UHFFFAOYSA-N
MW290.79 g/mol
LogP4.75
Rot. Bonds6

About 1-(3-chloro-4-phenylmethoxyphenyl)butan-1-ol

1-(3-chloro-4-phenylmethoxyphenyl)butan-1-ol (PubChem CID 83952820) has the molecular formula C17H19ClO2 and a molecular weight of 290.79 g/mol. Its IUPAC name is 1-(3-chloro-4-phenylmethoxyphenyl)butan-1-ol.

Molecular Properties

Compound Name1-(3-chloro-4-phenylmethoxyphenyl)butan-1-ol
PubChem CID83952820
Molecular FormulaC17H19ClO2
Molecular Weight290.79 g/mol
Exact Mass290.11
IUPAC Name1-(3-chloro-4-phenylmethoxyphenyl)butan-1-ol
SMILESCCCC(O)c1ccc(OCc2ccccc2)c(Cl)c1
InChIInChI=1S/C17H19ClO2/c1-2-6-16(19)14-9-10-17(15(18)11-14)20-12-13-7-4-3-5-8-13/h3-5,7-11,16,19H,2,6,12H2,1H3
InChIKeyFYEQYMYCCRNCEF-UHFFFAOYSA-N
XLogP4.75
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.79
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-1-(3-chloro-4-phenylmethoxyphenyl)ethanol
CID 23191762
1-(4-methoxy-3-phenylmethoxyphenyl)butan-1-ol
CID 83951248
1-(3-chloro-4-phenylmethoxyphenyl)propan-1-amine
CID 82550716
N-[1-(3-chloro-4-phenylmethoxyphenyl)ethyl]propan-1-amine
CID 63533463
methyl (2S,3S)-2-amino-3-(3-chloro-4-phenylmethoxyphenyl)-3-hydroxypropanoate
CID 11256154
1-(3-chloro-4-phenylmethoxyphenyl)ethane-1,2-diamine
CID 170894576
1-(3-chloro-4-ethoxyphenyl)propan-1-ol
CID 82629836
(1R)-2-bromo-1-(3-methyl-4-phenylmethoxyphenyl)ethanol
CID 59964196
(1R)-2-bromo-1-(3-methyl-4-phenylmethoxyphenyl)ethanol;ethane
CID 91382169
benzyl N-[(2R)-2-[3,4-bis(phenylmethoxy)phenyl]-2-hydroxyethyl]-N-methylcarbamate;4-[(1S)-1-hydroxybutyl]benzene-1,2-diol
CID 161315698
2-chloro-4-(methoxymethyl)-1-phenylmethoxybenzene
CID 146035474
1-(4-phenylmethoxyphenyl)hexan-1-ol
CID 65145694

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-phenylmethoxyphenyl)butan-1-ol?
The IUPAC name of 1-(3-chloro-4-phenylmethoxyphenyl)butan-1-ol (CID 83952820) is 1-(3-chloro-4-phenylmethoxyphenyl)butan-1-ol.
What is the SMILES notation for 1-(3-chloro-4-phenylmethoxyphenyl)butan-1-ol?
The canonical SMILES for 1-(3-chloro-4-phenylmethoxyphenyl)butan-1-ol is CCCC(O)c1ccc(OCc2ccccc2)c(Cl)c1.
What is the InChIKey of 1-(3-chloro-4-phenylmethoxyphenyl)butan-1-ol?
The InChIKey is FYEQYMYCCRNCEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClO2/c1-2-6-16(19)14-9-10-17(15(18)11-14)20-12-13-7-4-3-5-8-13/h3-5,7-11,16,19H,2,6,12H2,1H3.
What are the key properties of 1-(3-chloro-4-phenylmethoxyphenyl)butan-1-ol?
1-(3-chloro-4-phenylmethoxyphenyl)butan-1-ol has a molecular weight of 290.79 g/mol, XLogP of 4.75, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-phenylmethoxyphenyl)butan-1-ol is sourced from PubChem (CID 83952820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).