ethane;3-(3-methoxyphenyl)-3-phenylpropan-1-ol

C18H24O2 — CID 91197048

IUPACethane;3-(3-methoxyphenyl)-3-phenylpropan-1-ol
SMILESCC.COc1cccc(C(CCO)c2ccccc2)c1
InChIInChI=1S/C16H18O2.C2H6/c1-18-15-9-5-8-14(12-15)16(10-11-17)13-6-3-2-4-7-13;1-2/h2-9,12,16-17H,10-11H2,1H3;1-2H3
InChIKeyAVERRYBQGPYCJO-UHFFFAOYSA-N
MW272.39 g/mol
LogP4.24
Rot. Bonds5

About ethane;3-(3-methoxyphenyl)-3-phenylpropan-1-ol

ethane;3-(3-methoxyphenyl)-3-phenylpropan-1-ol (PubChem CID 91197048) has the molecular formula C18H24O2 and a molecular weight of 272.39 g/mol. Its IUPAC name is ethane;3-(3-methoxyphenyl)-3-phenylpropan-1-ol.

Molecular Properties

Compound Nameethane;3-(3-methoxyphenyl)-3-phenylpropan-1-ol
PubChem CID91197048
Molecular FormulaC18H24O2
Molecular Weight272.39 g/mol
Exact Mass272.18
IUPAC Nameethane;3-(3-methoxyphenyl)-3-phenylpropan-1-ol
SMILESCC.COc1cccc(C(CCO)c2ccccc2)c1
InChIInChI=1S/C16H18O2.C2H6/c1-18-15-9-5-8-14(12-15)16(10-11-17)13-6-3-2-4-7-13;1-2/h2-9,12,16-17H,10-11H2,1H3;1-2H3
InChIKeyAVERRYBQGPYCJO-UHFFFAOYSA-N
XLogP4.24
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3,5-dimethylphenyl)-3-(3-methoxyphenyl)propan-1-ol
CID 123769924
1-(3-bromo-1-phenylpropyl)-3-methoxybenzene
CID 22325018
1-(3-methoxyphenyl)butane-1,2,4-triol
CID 171871929
(3R)-3-[1-(3-methoxyphenyl)ethylamino]-3-phenylpropan-1-ol
CID 111755727
3-(3-methoxyphenyl)-5-methylhexan-1-ol
CID 112507986
1-ethyl-4-[1-(3-methoxyphenyl)butyl]benzene
CID 173290685
(1S)-1-(3-methoxyphenyl)-4-methyl-1-phenylpentan-3-one
CID 24826621
4-(4-hydroxyphenyl)-4-(3-methoxyphenyl)butanal
CID 88838673
4,4-bis(3-methoxyphenyl)-2-phenylbut-1-en-1-one
CID 88840532
2-(3-hydroxy-1-phenylpropyl)-3,5-dimethoxyphenol
CID 25139966
2-bromo-2-(3-methoxyphenyl)ethanol
CID 22371552
3-(5-methoxy-1H-indol-3-yl)-3-phenylpropan-1-ol
CID 177308406

Frequently Asked Questions

What is the IUPAC name of ethane;3-(3-methoxyphenyl)-3-phenylpropan-1-ol?
The IUPAC name of ethane;3-(3-methoxyphenyl)-3-phenylpropan-1-ol (CID 91197048) is ethane;3-(3-methoxyphenyl)-3-phenylpropan-1-ol.
What is the SMILES notation for ethane;3-(3-methoxyphenyl)-3-phenylpropan-1-ol?
The canonical SMILES for ethane;3-(3-methoxyphenyl)-3-phenylpropan-1-ol is CC.COc1cccc(C(CCO)c2ccccc2)c1.
What is the InChIKey of ethane;3-(3-methoxyphenyl)-3-phenylpropan-1-ol?
The InChIKey is AVERRYBQGPYCJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O2.C2H6/c1-18-15-9-5-8-14(12-15)16(10-11-17)13-6-3-2-4-7-13;1-2/h2-9,12,16-17H,10-11H2,1H3;1-2H3.
What are the key properties of ethane;3-(3-methoxyphenyl)-3-phenylpropan-1-ol?
ethane;3-(3-methoxyphenyl)-3-phenylpropan-1-ol has a molecular weight of 272.39 g/mol, XLogP of 4.24, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-(3-methoxyphenyl)-3-phenylpropan-1-ol is sourced from PubChem (CID 91197048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).