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

C16H17ClO2 — CID 116696320

IUPAC3-chloro-1-(3-methoxyphenyl)-1-phenylpropan-1-ol
SMILESCOc1cccc(C(O)(CCCl)c2ccccc2)c1
InChIInChI=1S/C16H17ClO2/c1-19-15-9-5-8-14(12-15)16(18,10-11-17)13-6-3-2-4-7-13/h2-9,12,18H,10-11H2,1H3
InChIKeyGIAOVMGISQBLTR-UHFFFAOYSA-N
MW276.76 g/mol
LogP3.56
Rot. Bonds5

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

3-chloro-1-(3-methoxyphenyl)-1-phenylpropan-1-ol (PubChem CID 116696320) has the molecular formula C16H17ClO2 and a molecular weight of 276.76 g/mol. Its IUPAC name is 3-chloro-1-(3-methoxyphenyl)-1-phenylpropan-1-ol.

Molecular Properties

Compound Name3-chloro-1-(3-methoxyphenyl)-1-phenylpropan-1-ol
PubChem CID116696320
Molecular FormulaC16H17ClO2
Molecular Weight276.76 g/mol
Exact Mass276.09
IUPAC Name3-chloro-1-(3-methoxyphenyl)-1-phenylpropan-1-ol
SMILESCOc1cccc(C(O)(CCCl)c2ccccc2)c1
InChIInChI=1S/C16H17ClO2/c1-19-15-9-5-8-14(12-15)16(18,10-11-17)13-6-3-2-4-7-13/h2-9,12,18H,10-11H2,1H3
InChIKeyGIAOVMGISQBLTR-UHFFFAOYSA-N
XLogP3.56
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 ≤ 53.56
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

(1S)-1-(3-methoxyphenyl)-1-phenylethanol
CID 29415940
1-(3-methoxyphenyl)-1-phenylethanol
CID 15680503
(2S,3S)-2,3-bis(3-methoxyphenyl)butane-2,3-diol
CID 101270093
2-(3-methoxyphenyl)-1-phenylpropan-2-ol
CID 43810200
ethyl 3-hydroxy-3,3-bis(3-methoxyphenyl)propanoate
CID 22743437
3-chloro-1-(3-fluoro-5-methylphenyl)-1-phenylpropan-1-ol
CID 116696426
1,3-difluoro-2-(3-methoxyphenyl)propan-2-ol
CID 102581302
2-ethyl-2-(3-methoxyphenyl)propanedioic acid
CID 165450739
2-ethoxy-2-(3-methoxyphenyl)propanoic acid
CID 114987500
1-fluoro-1-(3-methoxyphenyl)ethanol
CID 174577353
bis(3-methoxyphenyl)-(4-methylphenyl)methanol
CID 2758428
1-(2-chloropropan-2-yl)-3-methoxybenzene
CID 67293562

Frequently Asked Questions

What is the IUPAC name of 3-chloro-1-(3-methoxyphenyl)-1-phenylpropan-1-ol?
The IUPAC name of 3-chloro-1-(3-methoxyphenyl)-1-phenylpropan-1-ol (CID 116696320) is 3-chloro-1-(3-methoxyphenyl)-1-phenylpropan-1-ol.
What is the SMILES notation for 3-chloro-1-(3-methoxyphenyl)-1-phenylpropan-1-ol?
The canonical SMILES for 3-chloro-1-(3-methoxyphenyl)-1-phenylpropan-1-ol is COc1cccc(C(O)(CCCl)c2ccccc2)c1.
What is the InChIKey of 3-chloro-1-(3-methoxyphenyl)-1-phenylpropan-1-ol?
The InChIKey is GIAOVMGISQBLTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClO2/c1-19-15-9-5-8-14(12-15)16(18,10-11-17)13-6-3-2-4-7-13/h2-9,12,18H,10-11H2,1H3.
What are the key properties of 3-chloro-1-(3-methoxyphenyl)-1-phenylpropan-1-ol?
3-chloro-1-(3-methoxyphenyl)-1-phenylpropan-1-ol has a molecular weight of 276.76 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-(3-methoxyphenyl)-1-phenylpropan-1-ol is sourced from PubChem (CID 116696320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).