2-[(3-methoxyphenyl)methyl]-2-methylpentanoic acid

C14H20O3 — CID 62739211

IUPAC2-[(3-methoxyphenyl)methyl]-2-methylpentanoic acid
SMILESCCCC(C)(Cc1cccc(OC)c1)C(=O)O
InChIInChI=1S/C14H20O3/c1-4-8-14(2,13(15)16)10-11-6-5-7-12(9-11)17-3/h5-7,9H,4,8,10H2,1-3H3,(H,15,16)
InChIKeyIGIDJBSSEXHKSR-UHFFFAOYSA-N
MW236.31 g/mol
LogP3.13
Rot. Bonds6

About 2-[(3-methoxyphenyl)methyl]-2-methylpentanoic acid

2-[(3-methoxyphenyl)methyl]-2-methylpentanoic acid (PubChem CID 62739211) has the molecular formula C14H20O3 and a molecular weight of 236.31 g/mol. Its IUPAC name is 2-[(3-methoxyphenyl)methyl]-2-methylpentanoic acid.

Molecular Properties

Compound Name2-[(3-methoxyphenyl)methyl]-2-methylpentanoic acid
PubChem CID62739211
Molecular FormulaC14H20O3
Molecular Weight236.31 g/mol
Exact Mass236.14
IUPAC Name2-[(3-methoxyphenyl)methyl]-2-methylpentanoic acid
SMILESCCCC(C)(Cc1cccc(OC)c1)C(=O)O
InChIInChI=1S/C14H20O3/c1-4-8-14(2,13(15)16)10-11-6-5-7-12(9-11)17-3/h5-7,9H,4,8,10H2,1-3H3,(H,15,16)
InChIKeyIGIDJBSSEXHKSR-UHFFFAOYSA-N
XLogP3.13
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-2-[(3-nitrophenyl)methyl]pentanoic acid
CID 55106772
2-methoxy-2-[(3-methoxyphenyl)methyl]propanedioic acid
CID 146282656
2-[(3-methoxyphenyl)methyl]-2-methylpentan-1-amine
CID 62724090
2-[(3,4-dimethylphenyl)methyl]-2-methylpentanoic acid
CID 62739730
2-[(3-methoxyphenyl)methylsulfonyl]-2-methylpropanoic acid
CID 81229600
1-methoxy-2-[(3-methoxyphenyl)methyl]butan-2-ol
CID 65149549
3-[(3-methoxyphenyl)methyl]benzoic acid
CID 86242874
2-butan-2-yloxycarbonyl-4-(3-methoxyphenyl)-3,3-dimethylbutanoic acid
CID 66626097
3-hydroxy-1-(3-methoxyphenyl)-3-methylpentan-2-one
CID 103446663
2-chloro-N-[1-(3-methoxyphenyl)-2-methylpropan-2-yl]acetamide
CID 94691468
1-(3-methoxyphenyl)-N,2-dimethylpropan-2-amine
CID 82125732
1-methoxy-3-propylbenzene
CID 14270128

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methoxyphenyl)methyl]-2-methylpentanoic acid?
The IUPAC name of 2-[(3-methoxyphenyl)methyl]-2-methylpentanoic acid (CID 62739211) is 2-[(3-methoxyphenyl)methyl]-2-methylpentanoic acid.
What is the SMILES notation for 2-[(3-methoxyphenyl)methyl]-2-methylpentanoic acid?
The canonical SMILES for 2-[(3-methoxyphenyl)methyl]-2-methylpentanoic acid is CCCC(C)(Cc1cccc(OC)c1)C(=O)O.
What is the InChIKey of 2-[(3-methoxyphenyl)methyl]-2-methylpentanoic acid?
The InChIKey is IGIDJBSSEXHKSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O3/c1-4-8-14(2,13(15)16)10-11-6-5-7-12(9-11)17-3/h5-7,9H,4,8,10H2,1-3H3,(H,15,16).
What are the key properties of 2-[(3-methoxyphenyl)methyl]-2-methylpentanoic acid?
2-[(3-methoxyphenyl)methyl]-2-methylpentanoic acid has a molecular weight of 236.31 g/mol, XLogP of 3.13, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methoxyphenyl)methyl]-2-methylpentanoic acid is sourced from PubChem (CID 62739211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).