(1R,5S)-1,5-dihydroxy-1,7-diphenylheptan-3-one

C19H22O3 — CID 14585807

IUPAC(1R,5S)-1,5-dihydroxy-1,7-diphenylheptan-3-one
SMILESO=C(C[C@@H](O)CCc1ccccc1)C[C@@H](O)c1ccccc1
InChIInChI=1S/C19H22O3/c20-17(12-11-15-7-3-1-4-8-15)13-18(21)14-19(22)16-9-5-2-6-10-16/h1-10,17,19-20,22H,11-14H2/t17-,19+/m0/s1
InChIKeyRWQRFNIOVAJJRY-PKOBYXMFSA-N
MW298.38 g/mol
LogP3.06
Rot. Bonds8

About (1R,5S)-1,5-dihydroxy-1,7-diphenylheptan-3-one

(1R,5S)-1,5-dihydroxy-1,7-diphenylheptan-3-one (PubChem CID 14585807) has the molecular formula C19H22O3 and a molecular weight of 298.38 g/mol. Its IUPAC name is (1R,5S)-1,5-dihydroxy-1,7-diphenylheptan-3-one.

Molecular Properties

Compound Name(1R,5S)-1,5-dihydroxy-1,7-diphenylheptan-3-one
PubChem CID14585807
Molecular FormulaC19H22O3
Molecular Weight298.38 g/mol
Exact Mass298.16
IUPAC Name(1R,5S)-1,5-dihydroxy-1,7-diphenylheptan-3-one
SMILESO=C(C[C@@H](O)CCc1ccccc1)C[C@@H](O)c1ccccc1
InChIInChI=1S/C19H22O3/c20-17(12-11-15-7-3-1-4-8-15)13-18(21)14-19(22)16-9-5-2-6-10-16/h1-10,17,19-20,22H,11-14H2/t17-,19+/m0/s1
InChIKeyRWQRFNIOVAJJRY-PKOBYXMFSA-N
XLogP3.06
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 8400
Mls002638215
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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
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
1-Hydroxy-1-phenyl-2-propanone
CID 92733
3-Hydroxy-3-phenylpropanoic acid
CID 92959
1-Phenylpentane-1,5-diol
CID 263850

Frequently Asked Questions

What is the IUPAC name of (1R,5S)-1,5-dihydroxy-1,7-diphenylheptan-3-one?
The IUPAC name of (1R,5S)-1,5-dihydroxy-1,7-diphenylheptan-3-one (CID 14585807) is (1R,5S)-1,5-dihydroxy-1,7-diphenylheptan-3-one.
What is the SMILES notation for (1R,5S)-1,5-dihydroxy-1,7-diphenylheptan-3-one?
The canonical SMILES for (1R,5S)-1,5-dihydroxy-1,7-diphenylheptan-3-one is O=C(C[C@@H](O)CCc1ccccc1)C[C@@H](O)c1ccccc1.
What is the InChIKey of (1R,5S)-1,5-dihydroxy-1,7-diphenylheptan-3-one?
The InChIKey is RWQRFNIOVAJJRY-PKOBYXMFSA-N. The full InChI is InChI=1S/C19H22O3/c20-17(12-11-15-7-3-1-4-8-15)13-18(21)14-19(22)16-9-5-2-6-10-16/h1-10,17,19-20,22H,11-14H2/t17-,19+/m0/s1.
What are the key properties of (1R,5S)-1,5-dihydroxy-1,7-diphenylheptan-3-one?
(1R,5S)-1,5-dihydroxy-1,7-diphenylheptan-3-one has a molecular weight of 298.38 g/mol, XLogP of 3.06, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S)-1,5-dihydroxy-1,7-diphenylheptan-3-one is sourced from PubChem (CID 14585807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).