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

C16H17ClO2 — CID 79697411

IUPAC1-(4-chloro-3-methoxyphenyl)-2-phenylpropan-1-ol
SMILESCOc1cc(C(O)C(C)c2ccccc2)ccc1Cl
InChIInChI=1S/C16H17ClO2/c1-11(12-6-4-3-5-7-12)16(18)13-8-9-14(17)15(10-13)19-2/h3-11,16,18H,1-2H3
InChIKeyNSPHYPSBDGTHTD-UHFFFAOYSA-N
MW276.76 g/mol
LogP4.19
Rot. Bonds4

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

1-(4-chloro-3-methoxyphenyl)-2-phenylpropan-1-ol (PubChem CID 79697411) has the molecular formula C16H17ClO2 and a molecular weight of 276.76 g/mol. Its IUPAC name is 1-(4-chloro-3-methoxyphenyl)-2-phenylpropan-1-ol.

Molecular Properties

Compound Name1-(4-chloro-3-methoxyphenyl)-2-phenylpropan-1-ol
PubChem CID79697411
Molecular FormulaC16H17ClO2
Molecular Weight276.76 g/mol
Exact Mass276.09
IUPAC Name1-(4-chloro-3-methoxyphenyl)-2-phenylpropan-1-ol
SMILESCOc1cc(C(O)C(C)c2ccccc2)ccc1Cl
InChIInChI=1S/C16H17ClO2/c1-11(12-6-4-3-5-7-12)16(18)13-8-9-14(17)15(10-13)19-2/h3-11,16,18H,1-2H3
InChIKeyNSPHYPSBDGTHTD-UHFFFAOYSA-N
XLogP4.19
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.76
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chloro-3-methoxyphenyl)-2-methylbutan-1-ol
CID 79699849
1-(4-chloro-3-methoxyphenyl)-3-phenylbutan-1-ol
CID 79700071
1-(4-chloro-3-methoxyphenyl)-2-methylpentan-1-ol
CID 79697692
[(4-chloro-3-methoxyphenyl)-phenylmethyl]hydrazine
CID 105199196
1-chloro-4-(difluoromethyl)-2-methoxybenzene
CID 84664383
4-chloro-1-(4-chloro-3-methoxyphenyl)butane-1,2-diol
CID 171893697
1-(4-chloro-3-methoxyphenyl)-3-methylbutan-1-ol
CID 79699856
4-bromo-1-(4-chloro-3-methoxyphenyl)butane-1,2-diol
CID 171891906
1-(4-chloro-3-methoxyphenyl)-4-phenylbutan-1-ol
CID 105111101
1-(4-chloro-3-methoxyphenyl)-3-phenoxypropan-1-ol
CID 79698805
1-(4-chloro-3-methoxyphenyl)-2,3-dimethylbutan-1-amine
CID 105007097
(1S,2R)-1-amino-1-(4-chloro-3-methoxyphenyl)-3,3-dimethylbutan-2-ol
CID 171270141

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-methoxyphenyl)-2-phenylpropan-1-ol?
The IUPAC name of 1-(4-chloro-3-methoxyphenyl)-2-phenylpropan-1-ol (CID 79697411) is 1-(4-chloro-3-methoxyphenyl)-2-phenylpropan-1-ol.
What is the SMILES notation for 1-(4-chloro-3-methoxyphenyl)-2-phenylpropan-1-ol?
The canonical SMILES for 1-(4-chloro-3-methoxyphenyl)-2-phenylpropan-1-ol is COc1cc(C(O)C(C)c2ccccc2)ccc1Cl.
What is the InChIKey of 1-(4-chloro-3-methoxyphenyl)-2-phenylpropan-1-ol?
The InChIKey is NSPHYPSBDGTHTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClO2/c1-11(12-6-4-3-5-7-12)16(18)13-8-9-14(17)15(10-13)19-2/h3-11,16,18H,1-2H3.
What are the key properties of 1-(4-chloro-3-methoxyphenyl)-2-phenylpropan-1-ol?
1-(4-chloro-3-methoxyphenyl)-2-phenylpropan-1-ol has a molecular weight of 276.76 g/mol, XLogP of 4.19, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-3-methoxyphenyl)-2-phenylpropan-1-ol is sourced from PubChem (CID 79697411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).