2-[(1R)-1-(4-propylphenyl)ethoxy]carbonylbenzoic acid

C19H20O4 — CID 7472006

IUPAC2-[(1R)-1-(4-propylphenyl)ethoxy]carbonylbenzoic acid
SMILESCCCc1ccc([C@@H](C)OC(=O)c2ccccc2C(=O)O)cc1
InChIInChI=1S/C19H20O4/c1-3-6-14-9-11-15(12-10-14)13(2)23-19(22)17-8-5-4-7-16(17)18(20)21/h4-5,7-13H,3,6H2,1-2H3,(H,20,21)/t13-/m1/s1
InChIKeyDTCWCNORLHUNLF-CYBMUJFWSA-N
MW312.37 g/mol
LogP4.26
Rot. Bonds6

About 2-[(1R)-1-(4-propylphenyl)ethoxy]carbonylbenzoic acid

2-[(1R)-1-(4-propylphenyl)ethoxy]carbonylbenzoic acid (PubChem CID 7472006) has the molecular formula C19H20O4 and a molecular weight of 312.37 g/mol. Its IUPAC name is 2-[(1R)-1-(4-propylphenyl)ethoxy]carbonylbenzoic acid.

Molecular Properties

Compound Name2-[(1R)-1-(4-propylphenyl)ethoxy]carbonylbenzoic acid
PubChem CID7472006
Molecular FormulaC19H20O4
Molecular Weight312.37 g/mol
Exact Mass312.14
IUPAC Name2-[(1R)-1-(4-propylphenyl)ethoxy]carbonylbenzoic acid
SMILESCCCc1ccc([C@@H](C)OC(=O)c2ccccc2C(=O)O)cc1
InChIInChI=1S/C19H20O4/c1-3-6-14-9-11-15(12-10-14)13(2)23-19(22)17-8-5-4-7-16(17)18(20)21/h4-5,7-13H,3,6H2,1-2H3,(H,20,21)/t13-/m1/s1
InChIKeyDTCWCNORLHUNLF-CYBMUJFWSA-N
XLogP4.26
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 54069782
2-(2-methylpentadecan-7-yloxycarbonyl)benzoic acid
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2-(8-methylnonan-3-yloxycarbonyl)benzoic acid
CID 54148772
2-[(2S)-hexan-2-yl]oxycarbonylbenzoic acid
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2-[(1R)-1-(3-methoxyphenyl)ethoxy]carbonylbenzoic acid
CID 146474488
2-(1-chlorooctan-3-yloxycarbonyl)benzoic acid
CID 69030749
2-[1-[3-[ethyl(methyl)carbamoyl]oxyphenyl]ethoxycarbonyl]benzoic acid
CID 146474491
bis(1,4-dioctylbenzene);phthalic acid
CID 174721036
2-(4-propylphenyl)propanoic acid
CID 14880971
2-(2,3-dimethylhexan-3-yloxycarbonyl)benzoic acid
CID 174458904
2-(2-methyldecan-3-yloxycarbonyl)benzoic acid
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[(1S)-1-(4-fluorophenyl)ethyl] 2-hydroxybenzoate
CID 7890575

Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-1-(4-propylphenyl)ethoxy]carbonylbenzoic acid?
The IUPAC name of 2-[(1R)-1-(4-propylphenyl)ethoxy]carbonylbenzoic acid (CID 7472006) is 2-[(1R)-1-(4-propylphenyl)ethoxy]carbonylbenzoic acid.
What is the SMILES notation for 2-[(1R)-1-(4-propylphenyl)ethoxy]carbonylbenzoic acid?
The canonical SMILES for 2-[(1R)-1-(4-propylphenyl)ethoxy]carbonylbenzoic acid is CCCc1ccc([C@@H](C)OC(=O)c2ccccc2C(=O)O)cc1.
What is the InChIKey of 2-[(1R)-1-(4-propylphenyl)ethoxy]carbonylbenzoic acid?
The InChIKey is DTCWCNORLHUNLF-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H20O4/c1-3-6-14-9-11-15(12-10-14)13(2)23-19(22)17-8-5-4-7-16(17)18(20)21/h4-5,7-13H,3,6H2,1-2H3,(H,20,21)/t13-/m1/s1.
What are the key properties of 2-[(1R)-1-(4-propylphenyl)ethoxy]carbonylbenzoic acid?
2-[(1R)-1-(4-propylphenyl)ethoxy]carbonylbenzoic acid has a molecular weight of 312.37 g/mol, XLogP of 4.26, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-1-(4-propylphenyl)ethoxy]carbonylbenzoic acid is sourced from PubChem (CID 7472006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).