(7R,8R)-7-hydroxy-8-phenylmethoxynon-1-en-3-one

C16H22O3 — CID 46186042

IUPAC(7R,8R)-7-hydroxy-8-phenylmethoxynon-1-en-3-one
SMILESC=CC(=O)CCC[C@@H](O)[C@@H](C)OCc1ccccc1
InChIInChI=1S/C16H22O3/c1-3-15(17)10-7-11-16(18)13(2)19-12-14-8-5-4-6-9-14/h3-6,8-9,13,16,18H,1,7,10-12H2,2H3/t13-,16-/m1/s1
InChIKeyPWDHNPKRRBHQOL-CZUORRHYSA-N
MW262.35 g/mol
LogP2.88
Rot. Bonds9

About (7R,8R)-7-hydroxy-8-phenylmethoxynon-1-en-3-one

(7R,8R)-7-hydroxy-8-phenylmethoxynon-1-en-3-one (PubChem CID 46186042) has the molecular formula C16H22O3 and a molecular weight of 262.35 g/mol. Its IUPAC name is (7R,8R)-7-hydroxy-8-phenylmethoxynon-1-en-3-one.

Molecular Properties

Compound Name(7R,8R)-7-hydroxy-8-phenylmethoxynon-1-en-3-one
PubChem CID46186042
Molecular FormulaC16H22O3
Molecular Weight262.35 g/mol
Exact Mass262.16
IUPAC Name(7R,8R)-7-hydroxy-8-phenylmethoxynon-1-en-3-one
SMILESC=CC(=O)CCC[C@@H](O)[C@@H](C)OCc1ccccc1
InChIInChI=1S/C16H22O3/c1-3-15(17)10-7-11-16(18)13(2)19-12-14-8-5-4-6-9-14/h3-6,8-9,13,16,18H,1,7,10-12H2,2H3/t13-,16-/m1/s1
InChIKeyPWDHNPKRRBHQOL-CZUORRHYSA-N
XLogP2.88
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

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CID 13119193
methyl (3S,4R)-3-hydroxy-4-phenylmethoxypentanoate
CID 22215013
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CID 141364024
(7R)-10-phenylmethoxy-7-triethylsilyloxydec-1-en-3-one
CID 71681283
(2S,3S)-3-phenylmethoxy-1-(2-prop-2-enylphenyl)butan-2-ol
CID 57030159
3-amino-2-phenylmethoxyoct-7-en-4-one
CID 165464919
(2R,3R)-2-[(1R)-1-aminoethyl]-3-phenylmethoxybutanoic acid
CID 10799879
(2S,3R,4S)-4-benzyl-2-phenylmethoxyhex-5-en-3-ol
CID 121344680
(2S,3R)-3-phenylmethoxypent-4-en-2-ol
CID 73332888
(3R,4S,5S)-4-methyl-5-phenylmethoxyhexan-3-ol
CID 10799076
carbon monoxide;(2S,3S,6E,8E)-3-hydroxy-2-phenylmethoxydeca-6,8-dien-5-one;iron
CID 11037076
(2R,4S)-2,3-dimethyl-4-phenylmethoxypentanoic acid
CID 134864943

Frequently Asked Questions

What is the IUPAC name of (7R,8R)-7-hydroxy-8-phenylmethoxynon-1-en-3-one?
The IUPAC name of (7R,8R)-7-hydroxy-8-phenylmethoxynon-1-en-3-one (CID 46186042) is (7R,8R)-7-hydroxy-8-phenylmethoxynon-1-en-3-one.
What is the SMILES notation for (7R,8R)-7-hydroxy-8-phenylmethoxynon-1-en-3-one?
The canonical SMILES for (7R,8R)-7-hydroxy-8-phenylmethoxynon-1-en-3-one is C=CC(=O)CCC[C@@H](O)[C@@H](C)OCc1ccccc1.
What is the InChIKey of (7R,8R)-7-hydroxy-8-phenylmethoxynon-1-en-3-one?
The InChIKey is PWDHNPKRRBHQOL-CZUORRHYSA-N. The full InChI is InChI=1S/C16H22O3/c1-3-15(17)10-7-11-16(18)13(2)19-12-14-8-5-4-6-9-14/h3-6,8-9,13,16,18H,1,7,10-12H2,2H3/t13-,16-/m1/s1.
What are the key properties of (7R,8R)-7-hydroxy-8-phenylmethoxynon-1-en-3-one?
(7R,8R)-7-hydroxy-8-phenylmethoxynon-1-en-3-one has a molecular weight of 262.35 g/mol, XLogP of 2.88, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7R,8R)-7-hydroxy-8-phenylmethoxynon-1-en-3-one is sourced from PubChem (CID 46186042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).