2-(3-chlorophenyl)-3-phenylmethoxypropan-1-ol

C16H17ClO2 — CID 102940911

IUPAC2-(3-chlorophenyl)-3-phenylmethoxypropan-1-ol
SMILESOCC(COCc1ccccc1)c1cccc(Cl)c1
InChIInChI=1S/C16H17ClO2/c17-16-8-4-7-14(9-16)15(10-18)12-19-11-13-5-2-1-3-6-13/h1-9,15,18H,10-12H2
InChIKeyJKTXNMYPUYDVET-UHFFFAOYSA-N
MW276.76 g/mol
LogP3.63
Rot. Bonds6

About 2-(3-chlorophenyl)-3-phenylmethoxypropan-1-ol

2-(3-chlorophenyl)-3-phenylmethoxypropan-1-ol (PubChem CID 102940911) has the molecular formula C16H17ClO2 and a molecular weight of 276.76 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-3-phenylmethoxypropan-1-ol.

Molecular Properties

Compound Name2-(3-chlorophenyl)-3-phenylmethoxypropan-1-ol
PubChem CID102940911
Molecular FormulaC16H17ClO2
Molecular Weight276.76 g/mol
Exact Mass276.09
IUPAC Name2-(3-chlorophenyl)-3-phenylmethoxypropan-1-ol
SMILESOCC(COCc1ccccc1)c1cccc(Cl)c1
InChIInChI=1S/C16H17ClO2/c17-16-8-4-7-14(9-16)15(10-18)12-19-11-13-5-2-1-3-6-13/h1-9,15,18H,10-12H2
InChIKeyJKTXNMYPUYDVET-UHFFFAOYSA-N
XLogP3.63
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.76
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3-bromo-2-phenylpropoxy)methyl]-3-chlorobenzene
CID 65124851
2-(3-chlorophenyl)-3-(cyclopropylmethoxy)propan-1-ol
CID 106931301
(2R)-3-[(4-methoxyphenyl)methoxy]-2-phenylpropan-1-ol
CID 101173435
3-(3-hydroxy-2-phenylpropoxy)-2-phenylpropan-1-ol
CID 56973826
1-bromo-3-(1-bromo-3-phenylmethoxypropan-2-yl)benzene
CID 102940998
2-(3-chlorophenyl)-4-phenoxybutan-1-ol
CID 79443608
2-(3-fluorophenyl)-3-phenylmethoxypropan-1-amine
CID 102940587
2-[(3-chlorophenyl)methyl]-3-phenylmethoxypropan-1-amine
CID 102940409
3-amino-2-(3-chlorophenyl)propan-1-ol;hydrochloride
CID 119031530
3-(3-chlorophenoxy)-2-(3-fluorophenyl)propan-1-ol
CID 117243052
CID 172760983
CID 172760983
(2S)-2-(4-bromo-2-methylphenyl)-3-phenylmethoxypropan-1-ol
CID 118092700

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-3-phenylmethoxypropan-1-ol?
The IUPAC name of 2-(3-chlorophenyl)-3-phenylmethoxypropan-1-ol (CID 102940911) is 2-(3-chlorophenyl)-3-phenylmethoxypropan-1-ol.
What is the SMILES notation for 2-(3-chlorophenyl)-3-phenylmethoxypropan-1-ol?
The canonical SMILES for 2-(3-chlorophenyl)-3-phenylmethoxypropan-1-ol is OCC(COCc1ccccc1)c1cccc(Cl)c1.
What is the InChIKey of 2-(3-chlorophenyl)-3-phenylmethoxypropan-1-ol?
The InChIKey is JKTXNMYPUYDVET-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClO2/c17-16-8-4-7-14(9-16)15(10-18)12-19-11-13-5-2-1-3-6-13/h1-9,15,18H,10-12H2.
What are the key properties of 2-(3-chlorophenyl)-3-phenylmethoxypropan-1-ol?
2-(3-chlorophenyl)-3-phenylmethoxypropan-1-ol has a molecular weight of 276.76 g/mol, XLogP of 3.63, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-3-phenylmethoxypropan-1-ol is sourced from PubChem (CID 102940911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).