(1S)-1-(3-methoxyphenyl)-4-methyl-1-phenylpentan-3-one

C19H22O2 — CID 24826621

IUPAC(1S)-1-(3-methoxyphenyl)-4-methyl-1-phenylpentan-3-one
SMILESCOc1cccc([C@@H](CC(=O)C(C)C)c2ccccc2)c1
InChIInChI=1S/C19H22O2/c1-14(2)19(20)13-18(15-8-5-4-6-9-15)16-10-7-11-17(12-16)21-3/h4-12,14,18H,13H2,1-3H3/t18-/m0/s1
InChIKeyHENXVYDMGZTCDV-SFHVURJKSA-N
MW282.38 g/mol
LogP4.44
Rot. Bonds6

About (1S)-1-(3-methoxyphenyl)-4-methyl-1-phenylpentan-3-one

(1S)-1-(3-methoxyphenyl)-4-methyl-1-phenylpentan-3-one (PubChem CID 24826621) has the molecular formula C19H22O2 and a molecular weight of 282.38 g/mol. Its IUPAC name is (1S)-1-(3-methoxyphenyl)-4-methyl-1-phenylpentan-3-one.

Molecular Properties

Compound Name(1S)-1-(3-methoxyphenyl)-4-methyl-1-phenylpentan-3-one
PubChem CID24826621
Molecular FormulaC19H22O2
Molecular Weight282.38 g/mol
Exact Mass282.16
IUPAC Name(1S)-1-(3-methoxyphenyl)-4-methyl-1-phenylpentan-3-one
SMILESCOc1cccc([C@@H](CC(=O)C(C)C)c2ccccc2)c1
InChIInChI=1S/C19H22O2/c1-14(2)19(20)13-18(15-8-5-4-6-9-15)16-10-7-11-17(12-16)21-3/h4-12,14,18H,13H2,1-3H3/t18-/m0/s1
InChIKeyHENXVYDMGZTCDV-SFHVURJKSA-N
XLogP4.44
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4,4-bis(3-methoxyphenyl)-2-phenylbut-1-en-1-one
CID 88840532
ethane;3-(3-methoxyphenyl)-3-phenylpropan-1-ol
CID 91197048
2-(3-methoxyphenyl)-3-phenylbutanoic acid
CID 82140167
2-(3-methoxyphenyl)-3-sulfanylpropanoic acid
CID 117243551
2,2-bis(3-methoxyphenyl)acetic acid
CID 67016131
3-(3-methoxyphenyl)-3-(propanoylamino)propanoic acid
CID 112508887
(4R)-4-hydroxy-4-(3-methoxyphenyl)butan-2-one
CID 101411477
1-(3-bromo-1-phenylpropyl)-3-methoxybenzene
CID 22325018
2-(3-methoxyphenyl)hexan-3-one
CID 83047977
3-[[(1S)-1-(3-methoxyphenyl)ethyl]amino]butanoic acid
CID 81373766
1-ethoxy-3-(3-methoxyphenyl)-1-phenylpropan-2-one
CID 116751593
3-fluoro-2-(3-methoxyphenyl)butanoic acid
CID 105465777

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(3-methoxyphenyl)-4-methyl-1-phenylpentan-3-one?
The IUPAC name of (1S)-1-(3-methoxyphenyl)-4-methyl-1-phenylpentan-3-one (CID 24826621) is (1S)-1-(3-methoxyphenyl)-4-methyl-1-phenylpentan-3-one.
What is the SMILES notation for (1S)-1-(3-methoxyphenyl)-4-methyl-1-phenylpentan-3-one?
The canonical SMILES for (1S)-1-(3-methoxyphenyl)-4-methyl-1-phenylpentan-3-one is COc1cccc([C@@H](CC(=O)C(C)C)c2ccccc2)c1.
What is the InChIKey of (1S)-1-(3-methoxyphenyl)-4-methyl-1-phenylpentan-3-one?
The InChIKey is HENXVYDMGZTCDV-SFHVURJKSA-N. The full InChI is InChI=1S/C19H22O2/c1-14(2)19(20)13-18(15-8-5-4-6-9-15)16-10-7-11-17(12-16)21-3/h4-12,14,18H,13H2,1-3H3/t18-/m0/s1.
What are the key properties of (1S)-1-(3-methoxyphenyl)-4-methyl-1-phenylpentan-3-one?
(1S)-1-(3-methoxyphenyl)-4-methyl-1-phenylpentan-3-one has a molecular weight of 282.38 g/mol, XLogP of 4.44, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(3-methoxyphenyl)-4-methyl-1-phenylpentan-3-one is sourced from PubChem (CID 24826621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).