(1R)-1-hydroxy-1-(4-phenylphenyl)heptan-3-one

C19H22O2 — CID 10588977

IUPAC(1R)-1-hydroxy-1-(4-phenylphenyl)heptan-3-one
SMILESCCCCC(=O)C[C@@H](O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C19H22O2/c1-2-3-9-18(20)14-19(21)17-12-10-16(11-13-17)15-7-5-4-6-8-15/h4-8,10-13,19,21H,2-3,9,14H2,1H3/t19-/m1/s1
InChIKeyBGHGUPNHDWLMRB-LJQANCHMSA-N
MW282.38 g/mol
LogP4.54
Rot. Bonds7

About (1R)-1-hydroxy-1-(4-phenylphenyl)heptan-3-one

(1R)-1-hydroxy-1-(4-phenylphenyl)heptan-3-one (PubChem CID 10588977) has the molecular formula C19H22O2 and a molecular weight of 282.38 g/mol. Its IUPAC name is (1R)-1-hydroxy-1-(4-phenylphenyl)heptan-3-one.

Molecular Properties

Compound Name(1R)-1-hydroxy-1-(4-phenylphenyl)heptan-3-one
PubChem CID10588977
Molecular FormulaC19H22O2
Molecular Weight282.38 g/mol
Exact Mass282.16
IUPAC Name(1R)-1-hydroxy-1-(4-phenylphenyl)heptan-3-one
SMILESCCCCC(=O)C[C@@H](O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C19H22O2/c1-2-3-9-18(20)14-19(21)17-12-10-16(11-13-17)15-7-5-4-6-8-15/h4-8,10-13,19,21H,2-3,9,14H2,1H3/t19-/m1/s1
InChIKeyBGHGUPNHDWLMRB-LJQANCHMSA-N
XLogP4.54
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4'-(1-Hydroxy-2-methylpropyl)phenyl)propionic acid
CID 45117195
alpha-Phenyl[1,1'-biphenyl]-4-methanol
CID 95512
Mls002638215
CID 223673
4-Methylbenzhydrol
CID 95377
Dihydroyashabushiketol
CID 10265808
(5S)-5-hydroxy-1,7-bis(4-hydroxyphenyl)heptan-3-one
CID 13347313
5-Hydroxy-7-(4-hydroxyphenyl)-1-phenyl-3-heptanone
CID 10040339
5-Biphenyl-4-yl-3-hydroxy-pentanoic acid
CID 11391583
2-(Hydroxy-phenylmethyl)cyclopent-2-en-1-one
CID 11030566
4-Hydroxy-3,4-diphenyl-cyclopent-2-enone
CID 227383
1,7-Diphenyl-6(E)-Hepten-3-One-5-Ol
CID 44559751
(1S)-1-hydroxy-1-phenylpropan-2-one
CID 9815225

Frequently Asked Questions

What is the IUPAC name of (1R)-1-hydroxy-1-(4-phenylphenyl)heptan-3-one?
The IUPAC name of (1R)-1-hydroxy-1-(4-phenylphenyl)heptan-3-one (CID 10588977) is (1R)-1-hydroxy-1-(4-phenylphenyl)heptan-3-one.
What is the SMILES notation for (1R)-1-hydroxy-1-(4-phenylphenyl)heptan-3-one?
The canonical SMILES for (1R)-1-hydroxy-1-(4-phenylphenyl)heptan-3-one is CCCCC(=O)C[C@@H](O)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of (1R)-1-hydroxy-1-(4-phenylphenyl)heptan-3-one?
The InChIKey is BGHGUPNHDWLMRB-LJQANCHMSA-N. The full InChI is InChI=1S/C19H22O2/c1-2-3-9-18(20)14-19(21)17-12-10-16(11-13-17)15-7-5-4-6-8-15/h4-8,10-13,19,21H,2-3,9,14H2,1H3/t19-/m1/s1.
What are the key properties of (1R)-1-hydroxy-1-(4-phenylphenyl)heptan-3-one?
(1R)-1-hydroxy-1-(4-phenylphenyl)heptan-3-one has a molecular weight of 282.38 g/mol, XLogP of 4.54, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-hydroxy-1-(4-phenylphenyl)heptan-3-one is sourced from PubChem (CID 10588977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).