[4-[(4R)-4,8-dimethylnonyl]phenyl]-(3-hydroxyphenyl)methanone

C24H32O2 — CID 11850230

IUPAC[4-[(4R)-4,8-dimethylnonyl]phenyl]-(3-hydroxyphenyl)methanone
SMILESCC(C)CCC[C@@H](C)CCCc1ccc(C(=O)c2cccc(O)c2)cc1
InChIInChI=1S/C24H32O2/c1-18(2)7-4-8-19(3)9-5-10-20-13-15-21(16-14-20)24(26)22-11-6-12-23(25)17-22/h6,11-19,25H,4-5,7-10H2,1-3H3/t19-/m1/s1
InChIKeyPBZWNRXLXLOFKC-LJQANCHMSA-N
MW352.52 g/mol
LogP6.41
Rot. Bonds10

About [4-[(4R)-4,8-dimethylnonyl]phenyl]-(3-hydroxyphenyl)methanone

[4-[(4R)-4,8-dimethylnonyl]phenyl]-(3-hydroxyphenyl)methanone (PubChem CID 11850230) has the molecular formula C24H32O2 and a molecular weight of 352.52 g/mol. Its IUPAC name is [4-[(4R)-4,8-dimethylnonyl]phenyl]-(3-hydroxyphenyl)methanone.

Molecular Properties

Compound Name[4-[(4R)-4,8-dimethylnonyl]phenyl]-(3-hydroxyphenyl)methanone
PubChem CID11850230
Molecular FormulaC24H32O2
Molecular Weight352.52 g/mol
Exact Mass352.24
IUPAC Name[4-[(4R)-4,8-dimethylnonyl]phenyl]-(3-hydroxyphenyl)methanone
SMILESCC(C)CCC[C@@H](C)CCCc1ccc(C(=O)c2cccc(O)c2)cc1
InChIInChI=1S/C24H32O2/c1-18(2)7-4-8-19(3)9-5-10-20-13-15-21(16-14-20)24(26)22-11-6-12-23(25)17-22/h6,11-19,25H,4-5,7-10H2,1-3H3/t19-/m1/s1
InChIKeyPBZWNRXLXLOFKC-LJQANCHMSA-N
XLogP6.41
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.52
LogP ≤ 56.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [4-[(4R)-4,8-dimethylnonyl]phenyl]-(3-hydroxyphenyl)methanone?
The IUPAC name of [4-[(4R)-4,8-dimethylnonyl]phenyl]-(3-hydroxyphenyl)methanone (CID 11850230) is [4-[(4R)-4,8-dimethylnonyl]phenyl]-(3-hydroxyphenyl)methanone.
What is the SMILES notation for [4-[(4R)-4,8-dimethylnonyl]phenyl]-(3-hydroxyphenyl)methanone?
The canonical SMILES for [4-[(4R)-4,8-dimethylnonyl]phenyl]-(3-hydroxyphenyl)methanone is CC(C)CCC[C@@H](C)CCCc1ccc(C(=O)c2cccc(O)c2)cc1.
What is the InChIKey of [4-[(4R)-4,8-dimethylnonyl]phenyl]-(3-hydroxyphenyl)methanone?
The InChIKey is PBZWNRXLXLOFKC-LJQANCHMSA-N. The full InChI is InChI=1S/C24H32O2/c1-18(2)7-4-8-19(3)9-5-10-20-13-15-21(16-14-20)24(26)22-11-6-12-23(25)17-22/h6,11-19,25H,4-5,7-10H2,1-3H3/t19-/m1/s1.
What are the key properties of [4-[(4R)-4,8-dimethylnonyl]phenyl]-(3-hydroxyphenyl)methanone?
[4-[(4R)-4,8-dimethylnonyl]phenyl]-(3-hydroxyphenyl)methanone has a molecular weight of 352.52 g/mol, XLogP of 6.41, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4R)-4,8-dimethylnonyl]phenyl]-(3-hydroxyphenyl)methanone is sourced from PubChem (CID 11850230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).