1-[4-[4-(1-hydroxypropyl)phenyl]phenyl]ethanone

C17H18O2 — CID 91137941

IUPAC1-[4-[4-(1-hydroxypropyl)phenyl]phenyl]ethanone
SMILESCCC(O)c1ccc(-c2ccc(C(C)=O)cc2)cc1
InChIInChI=1S/C17H18O2/c1-3-17(19)16-10-8-15(9-11-16)14-6-4-13(5-7-14)12(2)18/h4-11,17,19H,3H2,1-2H3
InChIKeyCVGRRNHBOALHDU-UHFFFAOYSA-N
MW254.33 g/mol
LogP4.00
Rot. Bonds4

About 1-[4-[4-(1-hydroxypropyl)phenyl]phenyl]ethanone

1-[4-[4-(1-hydroxypropyl)phenyl]phenyl]ethanone (PubChem CID 91137941) has the molecular formula C17H18O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is 1-[4-[4-(1-hydroxypropyl)phenyl]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[4-(1-hydroxypropyl)phenyl]phenyl]ethanone
PubChem CID91137941
Molecular FormulaC17H18O2
Molecular Weight254.33 g/mol
Exact Mass254.13
IUPAC Name1-[4-[4-(1-hydroxypropyl)phenyl]phenyl]ethanone
SMILESCCC(O)c1ccc(-c2ccc(C(C)=O)cc2)cc1
InChIInChI=1S/C17H18O2/c1-3-17(19)16-10-8-15(9-11-16)14-6-4-13(5-7-14)12(2)18/h4-11,17,19H,3H2,1-2H3
InChIKeyCVGRRNHBOALHDU-UHFFFAOYSA-N
XLogP4.00
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-[4-(2-methylpentan-3-yl)phenyl]phenyl]ethanone
CID 70849693
4-(1-hydroxypropyl)benzamide
CID 118219631
1-[4-(1-hydroxyoctadecyl)phenyl]ethanone
CID 175118558
1-[4-[4-(difluoromethyl)phenyl]phenyl]ethanone
CID 22760371
1-[4-(1-hydroxy-2-methoxyethyl)phenyl]ethanone
CID 173353549
1-[4-(dihydroxymethyl)phenyl]ethanone
CID 66714715
1-[4-(1-fluoropropyl)phenyl]ethanone
CID 84614625
1-[4-[4-(4-ethylphenyl)phenyl]phenyl]ethanone
CID 24807530
1-[4-[4-[(2S)-2-methylbutyl]phenyl]phenyl]ethanone
CID 97304566
(1R)-1-(4-methylphenyl)propan-1-ol;propane
CID 144859103
1-[4-(hydroxymethyl)phenyl]ethanone;1-[3-(1-hydroxypropyl)phenyl]ethanone
CID 67936954
tert-butyl 4-(1-hydroxypropyl)benzoate
CID 21473763

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(1-hydroxypropyl)phenyl]phenyl]ethanone?
The IUPAC name of 1-[4-[4-(1-hydroxypropyl)phenyl]phenyl]ethanone (CID 91137941) is 1-[4-[4-(1-hydroxypropyl)phenyl]phenyl]ethanone.
What is the SMILES notation for 1-[4-[4-(1-hydroxypropyl)phenyl]phenyl]ethanone?
The canonical SMILES for 1-[4-[4-(1-hydroxypropyl)phenyl]phenyl]ethanone is CCC(O)c1ccc(-c2ccc(C(C)=O)cc2)cc1.
What is the InChIKey of 1-[4-[4-(1-hydroxypropyl)phenyl]phenyl]ethanone?
The InChIKey is CVGRRNHBOALHDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O2/c1-3-17(19)16-10-8-15(9-11-16)14-6-4-13(5-7-14)12(2)18/h4-11,17,19H,3H2,1-2H3.
What are the key properties of 1-[4-[4-(1-hydroxypropyl)phenyl]phenyl]ethanone?
1-[4-[4-(1-hydroxypropyl)phenyl]phenyl]ethanone has a molecular weight of 254.33 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(1-hydroxypropyl)phenyl]phenyl]ethanone is sourced from PubChem (CID 91137941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).