1-(4-chloro-2-methoxyphenyl)-3-phenylpropan-1-ol

C16H17ClO2 — CID 114978934

IUPAC1-(4-chloro-2-methoxyphenyl)-3-phenylpropan-1-ol
SMILESCOc1cc(Cl)ccc1C(O)CCc1ccccc1
InChIInChI=1S/C16H17ClO2/c1-19-16-11-13(17)8-9-14(16)15(18)10-7-12-5-3-2-4-6-12/h2-6,8-9,11,15,18H,7,10H2,1H3
InChIKeyKIELVLNVPFHWNE-UHFFFAOYSA-N
MW276.76 g/mol
LogP4.01
Rot. Bonds5

About 1-(4-chloro-2-methoxyphenyl)-3-phenylpropan-1-ol

1-(4-chloro-2-methoxyphenyl)-3-phenylpropan-1-ol (PubChem CID 114978934) has the molecular formula C16H17ClO2 and a molecular weight of 276.76 g/mol. Its IUPAC name is 1-(4-chloro-2-methoxyphenyl)-3-phenylpropan-1-ol.

Molecular Properties

Compound Name1-(4-chloro-2-methoxyphenyl)-3-phenylpropan-1-ol
PubChem CID114978934
Molecular FormulaC16H17ClO2
Molecular Weight276.76 g/mol
Exact Mass276.09
IUPAC Name1-(4-chloro-2-methoxyphenyl)-3-phenylpropan-1-ol
SMILESCOc1cc(Cl)ccc1C(O)CCc1ccccc1
InChIInChI=1S/C16H17ClO2/c1-19-16-11-13(17)8-9-14(16)15(18)10-7-12-5-3-2-4-6-12/h2-6,8-9,11,15,18H,7,10H2,1H3
InChIKeyKIELVLNVPFHWNE-UHFFFAOYSA-N
XLogP4.01
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.76
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chloro-2-methoxyphenyl)-2-phenylethanol
CID 63017540
(1R)-1-(4-chloro-2-methoxyphenyl)butan-1-ol
CID 106820012
1-(2-amino-4-chlorophenyl)-3-phenylpropan-1-ol
CID 64916015
1-(4-chloro-2-methoxyphenyl)propan-1-ol
CID 115787726
1-(4-bromo-2-methoxyphenyl)-4-phenylbutan-1-ol
CID 115791105
(3S)-3-(4-chloro-2-methoxyphenyl)-3-hydroxypropanoic acid
CID 96804173
1-(5-chloro-2-methoxyphenyl)-3-pyridin-3-ylpropan-1-ol
CID 105092299
1-(4-chloro-2-methoxyphenyl)-3-(1-methylimidazol-2-yl)propan-1-ol
CID 115837996
1-(4-chloro-2-methoxyphenyl)-2-(3,4-dimethylphenyl)ethanol
CID 63018032
1-(4-chloro-2-methoxyphenyl)-3-methylhexan-1-ol
CID 115788971
1-(4-chloro-2-methoxyphenyl)-2-(3-fluoro-4-methoxyphenyl)ethanol
CID 115782250
1-(4-chloro-2-methoxyphenyl)-2-(2-nitrophenyl)ethanol
CID 63017859

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-methoxyphenyl)-3-phenylpropan-1-ol?
The IUPAC name of 1-(4-chloro-2-methoxyphenyl)-3-phenylpropan-1-ol (CID 114978934) is 1-(4-chloro-2-methoxyphenyl)-3-phenylpropan-1-ol.
What is the SMILES notation for 1-(4-chloro-2-methoxyphenyl)-3-phenylpropan-1-ol?
The canonical SMILES for 1-(4-chloro-2-methoxyphenyl)-3-phenylpropan-1-ol is COc1cc(Cl)ccc1C(O)CCc1ccccc1.
What is the InChIKey of 1-(4-chloro-2-methoxyphenyl)-3-phenylpropan-1-ol?
The InChIKey is KIELVLNVPFHWNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClO2/c1-19-16-11-13(17)8-9-14(16)15(18)10-7-12-5-3-2-4-6-12/h2-6,8-9,11,15,18H,7,10H2,1H3.
What are the key properties of 1-(4-chloro-2-methoxyphenyl)-3-phenylpropan-1-ol?
1-(4-chloro-2-methoxyphenyl)-3-phenylpropan-1-ol has a molecular weight of 276.76 g/mol, XLogP of 4.01, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2-methoxyphenyl)-3-phenylpropan-1-ol is sourced from PubChem (CID 114978934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).