2-(4-methoxyphenyl)-1-phenylbutan-2-ol

C17H20O2 — CID 79008309

IUPAC2-(4-methoxyphenyl)-1-phenylbutan-2-ol
SMILESCCC(O)(Cc1ccccc1)c1ccc(OC)cc1
InChIInChI=1S/C17H20O2/c1-3-17(18,13-14-7-5-4-6-8-14)15-9-11-16(19-2)12-10-15/h4-12,18H,3,13H2,1-2H3
InChIKeyAMOYXEVPSHAAHN-UHFFFAOYSA-N
MW256.35 g/mol
LogP3.54
Rot. Bonds5

About 2-(4-methoxyphenyl)-1-phenylbutan-2-ol

2-(4-methoxyphenyl)-1-phenylbutan-2-ol (PubChem CID 79008309) has the molecular formula C17H20O2 and a molecular weight of 256.35 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-1-phenylbutan-2-ol.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-1-phenylbutan-2-ol
PubChem CID79008309
Molecular FormulaC17H20O2
Molecular Weight256.35 g/mol
Exact Mass256.15
IUPAC Name2-(4-methoxyphenyl)-1-phenylbutan-2-ol
SMILESCCC(O)(Cc1ccccc1)c1ccc(OC)cc1
InChIInChI=1S/C17H20O2/c1-3-17(18,13-14-7-5-4-6-8-14)15-9-11-16(19-2)12-10-15/h4-12,18H,3,13H2,1-2H3
InChIKeyAMOYXEVPSHAAHN-UHFFFAOYSA-N
XLogP3.54
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-(4-methoxyphenyl)-1-pyridin-4-ylbutan-2-ol
CID 125493756
4-(diethylamino)-2-(4-methoxyphenyl)-1-phenylbutan-2-ol
CID 134112226
2-(3,4-difluorophenyl)-1-phenylbutan-2-ol
CID 79008246
(2S)-1-(4-chlorophenyl)-2-phenylbutan-2-ol
CID 93325474
2-hydroxy-1,2-bis(4-methoxyphenyl)-3-phenylpropan-1-one
CID 12559074
2-(4-methoxyphenyl)butan-2-ol
CID 10307904
1-(4-methoxyphenyl)-1,2,2-triphenylethane-1,2-diol
CID 70611668
2-(5-fluoro-2-methoxyphenyl)-1-phenylbutan-2-ol
CID 82769735
2-phenyl-1-[3-(trifluoromethyl)phenyl]butan-2-ol
CID 65146789
2-ethyl-2-[(4-methoxyphenyl)methyl]butanoic acid
CID 79015562
5-(4-methoxyphenyl)nonan-5-ol
CID 15695648
(2R)-2-hydroxy-2-[(4-methoxyphenyl)methyl]butanoic acid
CID 67330624

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-1-phenylbutan-2-ol?
The IUPAC name of 2-(4-methoxyphenyl)-1-phenylbutan-2-ol (CID 79008309) is 2-(4-methoxyphenyl)-1-phenylbutan-2-ol.
What is the SMILES notation for 2-(4-methoxyphenyl)-1-phenylbutan-2-ol?
The canonical SMILES for 2-(4-methoxyphenyl)-1-phenylbutan-2-ol is CCC(O)(Cc1ccccc1)c1ccc(OC)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-1-phenylbutan-2-ol?
The InChIKey is AMOYXEVPSHAAHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20O2/c1-3-17(18,13-14-7-5-4-6-8-14)15-9-11-16(19-2)12-10-15/h4-12,18H,3,13H2,1-2H3.
What are the key properties of 2-(4-methoxyphenyl)-1-phenylbutan-2-ol?
2-(4-methoxyphenyl)-1-phenylbutan-2-ol has a molecular weight of 256.35 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-1-phenylbutan-2-ol is sourced from PubChem (CID 79008309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).