3-(5-methyl-2-phenylmethoxyphenyl)-3-phenylpropan-1-ol

C23H24O2 — CID 11290507

IUPAC3-(5-methyl-2-phenylmethoxyphenyl)-3-phenylpropan-1-ol
SMILESCc1ccc(OCc2ccccc2)c(C(CCO)c2ccccc2)c1
InChIInChI=1S/C23H24O2/c1-18-12-13-23(25-17-19-8-4-2-5-9-19)22(16-18)21(14-15-24)20-10-6-3-7-11-20/h2-13,16,21,24H,14-15,17H2,1H3
InChIKeyRKLIBBRRUITMAB-UHFFFAOYSA-N
MW332.44 g/mol
LogP5.09
Rot. Bonds7

About 3-(5-methyl-2-phenylmethoxyphenyl)-3-phenylpropan-1-ol

3-(5-methyl-2-phenylmethoxyphenyl)-3-phenylpropan-1-ol (PubChem CID 11290507) has the molecular formula C23H24O2 and a molecular weight of 332.44 g/mol. Its IUPAC name is 3-(5-methyl-2-phenylmethoxyphenyl)-3-phenylpropan-1-ol.

Molecular Properties

Compound Name3-(5-methyl-2-phenylmethoxyphenyl)-3-phenylpropan-1-ol
PubChem CID11290507
Molecular FormulaC23H24O2
Molecular Weight332.44 g/mol
Exact Mass332.18
IUPAC Name3-(5-methyl-2-phenylmethoxyphenyl)-3-phenylpropan-1-ol
SMILESCc1ccc(OCc2ccccc2)c(C(CCO)c2ccccc2)c1
InChIInChI=1S/C23H24O2/c1-18-12-13-23(25-17-19-8-4-2-5-9-19)22(16-18)21(14-15-24)20-10-6-3-7-11-20/h2-13,16,21,24H,14-15,17H2,1H3
InChIKeyRKLIBBRRUITMAB-UHFFFAOYSA-N
XLogP5.09
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.44
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-[3-[di(propan-2-yl)amino]-1-phenylpropyl]-4-phenylmethoxyphenyl]ethanol
CID 18357281
2-[(1S)-3-hydroxy-1-phenylpropyl]-4-methylphenol
CID 16754102
[3-[(1R)-3-[di(propan-2-yl)amino]-1-phenylpropyl]-4-phenylmethoxyphenyl]methanol
CID 15434420
(1S)-1-[3-[(1R)-3-[di(propan-2-yl)amino]-1-phenylpropyl]-4-phenylmethoxyphenyl]ethane-1,2-diol
CID 57000314
1-[3-[(1R)-3-amino-1-phenylpropyl]-4-phenylmethoxyphenyl]ethanone
CID 70277293
3-(5-bromo-2-phenylmethoxyphenyl)-3-phenylpropan-1-amine
CID 141002996
(3R)-3-(5-ethyl-2-phenylmethoxyphenyl)-3-phenyl-N,N-di(propan-2-yl)propan-1-amine
CID 142644338
(3R)-3-(5-ethyl-2-methoxyphenyl)-3-phenylpropan-1-ol
CID 66730972
1-[5-methyl-2-[(4-methylphenyl)methoxy]phenyl]ethanamine
CID 43505054
but-2-enedioic acid;[3-[(1R)-3-[di(propan-2-yl)amino]-1-phenylpropyl]-4-phenylmethoxyphenyl]methanol
CID 71258122
(3S)-3-amino-3-(3-ethoxy-4-phenylmethoxyphenyl)propan-1-ol
CID 171230054
(4-methyl-2-sulfanylphenyl)-(2-phenylmethoxyphenyl)methanol
CID 67459729

Frequently Asked Questions

What is the IUPAC name of 3-(5-methyl-2-phenylmethoxyphenyl)-3-phenylpropan-1-ol?
The IUPAC name of 3-(5-methyl-2-phenylmethoxyphenyl)-3-phenylpropan-1-ol (CID 11290507) is 3-(5-methyl-2-phenylmethoxyphenyl)-3-phenylpropan-1-ol.
What is the SMILES notation for 3-(5-methyl-2-phenylmethoxyphenyl)-3-phenylpropan-1-ol?
The canonical SMILES for 3-(5-methyl-2-phenylmethoxyphenyl)-3-phenylpropan-1-ol is Cc1ccc(OCc2ccccc2)c(C(CCO)c2ccccc2)c1.
What is the InChIKey of 3-(5-methyl-2-phenylmethoxyphenyl)-3-phenylpropan-1-ol?
The InChIKey is RKLIBBRRUITMAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24O2/c1-18-12-13-23(25-17-19-8-4-2-5-9-19)22(16-18)21(14-15-24)20-10-6-3-7-11-20/h2-13,16,21,24H,14-15,17H2,1H3.
What are the key properties of 3-(5-methyl-2-phenylmethoxyphenyl)-3-phenylpropan-1-ol?
3-(5-methyl-2-phenylmethoxyphenyl)-3-phenylpropan-1-ol has a molecular weight of 332.44 g/mol, XLogP of 5.09, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methyl-2-phenylmethoxyphenyl)-3-phenylpropan-1-ol is sourced from PubChem (CID 11290507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).