2-(3-phenylmethoxyphenyl)propan-2-ol

C16H18O2 — CID 13368032

IUPAC2-(3-phenylmethoxyphenyl)propan-2-ol
SMILESCC(C)(O)c1cccc(OCc2ccccc2)c1
InChIInChI=1S/C16H18O2/c1-16(2,17)14-9-6-10-15(11-14)18-12-13-7-4-3-5-8-13/h3-11,17H,12H2,1-2H3
InChIKeyVMDVKBIHIXLFPV-UHFFFAOYSA-N
MW242.32 g/mol
LogP3.49
Rot. Bonds4

About 2-(3-phenylmethoxyphenyl)propan-2-ol

2-(3-phenylmethoxyphenyl)propan-2-ol (PubChem CID 13368032) has the molecular formula C16H18O2 and a molecular weight of 242.32 g/mol. Its IUPAC name is 2-(3-phenylmethoxyphenyl)propan-2-ol.

Molecular Properties

Compound Name2-(3-phenylmethoxyphenyl)propan-2-ol
PubChem CID13368032
Molecular FormulaC16H18O2
Molecular Weight242.32 g/mol
Exact Mass242.13
IUPAC Name2-(3-phenylmethoxyphenyl)propan-2-ol
SMILESCC(C)(O)c1cccc(OCc2ccccc2)c1
InChIInChI=1S/C16H18O2/c1-16(2,17)14-9-6-10-15(11-14)18-12-13-7-4-3-5-8-13/h3-11,17H,12H2,1-2H3
InChIKeyVMDVKBIHIXLFPV-UHFFFAOYSA-N
XLogP3.49
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-amino-2-(3-phenylmethoxyphenyl)propanoic acid
CID 7345316
1-tert-butyl-3-[(4-phenylphenyl)methoxy]benzene
CID 59734480
1-(3-phenylmethoxyphenyl)-1-quinazolin-4-ylethanol
CID 118736450
(2R,3S)-3-benzyl-4-(dimethylamino)-2-(3-phenylmethoxyphenyl)butan-2-ol;hydrochloride
CID 70009427
(2-chlorophenyl)-phenyl-(3-phenylmethoxyphenyl)methanol
CID 166175292
1-(2-methyl-1-prop-2-enoxypropan-2-yl)-3-phenylmethoxybenzene
CID 59204436
1-(2-methylnonan-2-yl)-3-phenylmethoxybenzene
CID 141065806
1-(3-ethoxyphenyl)-1-phenylethanol
CID 58452058
N-[2-methyl-2-(3-phenylmethoxyphenyl)propyl]propanamide
CID 118609735
6-methyl-6-(3-phenylmethoxyphenyl)hepta-2,4-dienoic acid
CID 72530435
1-[2-(3-methylbutoxy)propan-2-yl]-3-phenylmethoxybenzene
CID 171082478
2-methyl-N-[(3-phenylmethoxyphenyl)methyl]propan-2-amine
CID 4721452

Frequently Asked Questions

What is the IUPAC name of 2-(3-phenylmethoxyphenyl)propan-2-ol?
The IUPAC name of 2-(3-phenylmethoxyphenyl)propan-2-ol (CID 13368032) is 2-(3-phenylmethoxyphenyl)propan-2-ol.
What is the SMILES notation for 2-(3-phenylmethoxyphenyl)propan-2-ol?
The canonical SMILES for 2-(3-phenylmethoxyphenyl)propan-2-ol is CC(C)(O)c1cccc(OCc2ccccc2)c1.
What is the InChIKey of 2-(3-phenylmethoxyphenyl)propan-2-ol?
The InChIKey is VMDVKBIHIXLFPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O2/c1-16(2,17)14-9-6-10-15(11-14)18-12-13-7-4-3-5-8-13/h3-11,17H,12H2,1-2H3.
What are the key properties of 2-(3-phenylmethoxyphenyl)propan-2-ol?
2-(3-phenylmethoxyphenyl)propan-2-ol has a molecular weight of 242.32 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-phenylmethoxyphenyl)propan-2-ol is sourced from PubChem (CID 13368032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).