2-(3-methoxy-1-phenylpentan-2-yl)benzoic acid

C19H22O3 — CID 175154678

IUPAC2-(3-methoxy-1-phenylpentan-2-yl)benzoic acid
SMILESCCC(OC)C(Cc1ccccc1)c1ccccc1C(=O)O
InChIInChI=1S/C19H22O3/c1-3-18(22-2)17(13-14-9-5-4-6-10-14)15-11-7-8-12-16(15)19(20)21/h4-12,17-18H,3,13H2,1-2H3,(H,20,21)
InChIKeyXMECVUBOCMWAGJ-UHFFFAOYSA-N
MW298.38 g/mol
LogP4.14
Rot. Bonds7

About 2-(3-methoxy-1-phenylpentan-2-yl)benzoic acid

2-(3-methoxy-1-phenylpentan-2-yl)benzoic acid (PubChem CID 175154678) has the molecular formula C19H22O3 and a molecular weight of 298.38 g/mol. Its IUPAC name is 2-(3-methoxy-1-phenylpentan-2-yl)benzoic acid.

Molecular Properties

Compound Name2-(3-methoxy-1-phenylpentan-2-yl)benzoic acid
PubChem CID175154678
Molecular FormulaC19H22O3
Molecular Weight298.38 g/mol
Exact Mass298.16
IUPAC Name2-(3-methoxy-1-phenylpentan-2-yl)benzoic acid
SMILESCCC(OC)C(Cc1ccccc1)c1ccccc1C(=O)O
InChIInChI=1S/C19H22O3/c1-3-18(22-2)17(13-14-9-5-4-6-10-14)15-11-7-8-12-16(15)19(20)21/h4-12,17-18H,3,13H2,1-2H3,(H,20,21)
InChIKeyXMECVUBOCMWAGJ-UHFFFAOYSA-N
XLogP4.14
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-methoxy-1-phenylpentan-2-yl) benzoate
CID 174910500
2-[methoxy(methylsulfanyl)methyl]benzoic acid
CID 66599925
(3R,6S)-2,3,6-trihydroxy-7-methoxy-1,8-diphenyloctane-4,5-dione
CID 54250401
(2R)-2-methoxy-3-phenylpropanoic acid
CID 72942339
(3S,4R)-3-(benzylamino)-4-methoxyhexan-2-one
CID 95048845
2-hydroxy-3-[1-(2-phenylmethoxyphenyl)propyl]benzoic acid
CID 67659398
2-(1-carboxybutyl)benzoic acid
CID 51041232
2-(1-phenylbutyl)benzoic acid
CID 118163861
(6-benzoyloxy-4,5-dibenzyloctan-3-yl) benzoate
CID 141068159
2-(1-diethylphosphoryloxy-2-phenylethyl)benzamide
CID 146295279
[1-(2-chlorophenyl)-2-methoxybutyl]carbamic acid
CID 175407275
2-methoxy-3-phenylpropanethioic S-acid
CID 154225885

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxy-1-phenylpentan-2-yl)benzoic acid?
The IUPAC name of 2-(3-methoxy-1-phenylpentan-2-yl)benzoic acid (CID 175154678) is 2-(3-methoxy-1-phenylpentan-2-yl)benzoic acid.
What is the SMILES notation for 2-(3-methoxy-1-phenylpentan-2-yl)benzoic acid?
The canonical SMILES for 2-(3-methoxy-1-phenylpentan-2-yl)benzoic acid is CCC(OC)C(Cc1ccccc1)c1ccccc1C(=O)O.
What is the InChIKey of 2-(3-methoxy-1-phenylpentan-2-yl)benzoic acid?
The InChIKey is XMECVUBOCMWAGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O3/c1-3-18(22-2)17(13-14-9-5-4-6-10-14)15-11-7-8-12-16(15)19(20)21/h4-12,17-18H,3,13H2,1-2H3,(H,20,21).
What are the key properties of 2-(3-methoxy-1-phenylpentan-2-yl)benzoic acid?
2-(3-methoxy-1-phenylpentan-2-yl)benzoic acid has a molecular weight of 298.38 g/mol, XLogP of 4.14, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxy-1-phenylpentan-2-yl)benzoic acid is sourced from PubChem (CID 175154678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).