4-(4-phenylphenyl)hexan-3-ol

C18H22O — CID 175539403

IUPAC4-(4-phenylphenyl)hexan-3-ol
SMILESCCC(O)C(CC)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C18H22O/c1-3-17(18(19)4-2)16-12-10-15(11-13-16)14-8-6-5-7-9-14/h5-13,17-19H,3-4H2,1-2H3
InChIKeyARVIEQIGUNWPPX-UHFFFAOYSA-N
MW254.37 g/mol
LogP4.62
Rot. Bonds5

About 4-(4-phenylphenyl)hexan-3-ol

4-(4-phenylphenyl)hexan-3-ol (PubChem CID 175539403) has the molecular formula C18H22O and a molecular weight of 254.37 g/mol. Its IUPAC name is 4-(4-phenylphenyl)hexan-3-ol.

Molecular Properties

Compound Name4-(4-phenylphenyl)hexan-3-ol
PubChem CID175539403
Molecular FormulaC18H22O
Molecular Weight254.37 g/mol
Exact Mass254.17
IUPAC Name4-(4-phenylphenyl)hexan-3-ol
SMILESCCC(O)C(CC)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C18H22O/c1-3-17(18(19)4-2)16-12-10-15(11-13-16)14-8-6-5-7-9-14/h5-13,17-19H,3-4H2,1-2H3
InChIKeyARVIEQIGUNWPPX-UHFFFAOYSA-N
XLogP4.62
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-[(3S)-4-hydroxyhexan-3-yl]phenol
CID 175488649
(2S)-2-bromo-3-(4-phenylphenyl)pentanoic acid
CID 139912765
2-ethyl-1-(4-phenylphenyl)butan-1-ol
CID 63425864
2,2-dimethyl-1-(4-phenylphenyl)butan-1-ol
CID 63426075
(2S)-3-phenylpentan-2-ol
CID 45048673
3-methyl-1-(4-phenylphenyl)pentan-1-ol
CID 65148669
5-phenylhept-1-yn-4-ol
CID 115840091
1-amino-2-(4-methylphenyl)pentan-3-ol
CID 65187998
2-methoxy-1-(4-phenylphenyl)butan-1-ol
CID 116710860
3-ethoxy-1-(4-phenylphenyl)propane-1,2-diol
CID 175226150
2-ethylsulfanyl-1-(4-phenylphenyl)ethanol
CID 65455892
[(2S)-1,1-diphenylbutan-2-yl]benzene
CID 101326862

Frequently Asked Questions

What is the IUPAC name of 4-(4-phenylphenyl)hexan-3-ol?
The IUPAC name of 4-(4-phenylphenyl)hexan-3-ol (CID 175539403) is 4-(4-phenylphenyl)hexan-3-ol.
What is the SMILES notation for 4-(4-phenylphenyl)hexan-3-ol?
The canonical SMILES for 4-(4-phenylphenyl)hexan-3-ol is CCC(O)C(CC)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 4-(4-phenylphenyl)hexan-3-ol?
The InChIKey is ARVIEQIGUNWPPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O/c1-3-17(18(19)4-2)16-12-10-15(11-13-16)14-8-6-5-7-9-14/h5-13,17-19H,3-4H2,1-2H3.
What are the key properties of 4-(4-phenylphenyl)hexan-3-ol?
4-(4-phenylphenyl)hexan-3-ol has a molecular weight of 254.37 g/mol, XLogP of 4.62, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-phenylphenyl)hexan-3-ol is sourced from PubChem (CID 175539403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).