2-(1-methylcyclohexyl)oxycarbonylbenzoic acid

C15H18O4 — CID 11747408

IUPAC2-(1-methylcyclohexyl)oxycarbonylbenzoic acid
SMILESCC1(OC(=O)c2ccccc2C(=O)O)CCCCC1
InChIInChI=1S/C15H18O4/c1-15(9-5-2-6-10-15)19-14(18)12-8-4-3-7-11(12)13(16)17/h3-4,7-8H,2,5-6,9-10H2,1H3,(H,16,17)
InChIKeyGONWOZUQGIDGER-UHFFFAOYSA-N
MW262.31 g/mol
LogP3.26
Rot. Bonds3

About 2-(1-methylcyclohexyl)oxycarbonylbenzoic acid

2-(1-methylcyclohexyl)oxycarbonylbenzoic acid (PubChem CID 11747408) has the molecular formula C15H18O4 and a molecular weight of 262.31 g/mol. Its IUPAC name is 2-(1-methylcyclohexyl)oxycarbonylbenzoic acid.

Molecular Properties

Compound Name2-(1-methylcyclohexyl)oxycarbonylbenzoic acid
PubChem CID11747408
Molecular FormulaC15H18O4
Molecular Weight262.31 g/mol
Exact Mass262.12
IUPAC Name2-(1-methylcyclohexyl)oxycarbonylbenzoic acid
SMILESCC1(OC(=O)c2ccccc2C(=O)O)CCCCC1
InChIInChI=1S/C15H18O4/c1-15(9-5-2-6-10-15)19-14(18)12-8-4-3-7-11(12)13(16)17/h3-4,7-8H,2,5-6,9-10H2,1H3,(H,16,17)
InChIKeyGONWOZUQGIDGER-UHFFFAOYSA-N
XLogP3.26
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methylcyclohexyl)oxycarbonylbenzoic acid?
The IUPAC name of 2-(1-methylcyclohexyl)oxycarbonylbenzoic acid (CID 11747408) is 2-(1-methylcyclohexyl)oxycarbonylbenzoic acid.
What is the SMILES notation for 2-(1-methylcyclohexyl)oxycarbonylbenzoic acid?
The canonical SMILES for 2-(1-methylcyclohexyl)oxycarbonylbenzoic acid is CC1(OC(=O)c2ccccc2C(=O)O)CCCCC1.
What is the InChIKey of 2-(1-methylcyclohexyl)oxycarbonylbenzoic acid?
The InChIKey is GONWOZUQGIDGER-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O4/c1-15(9-5-2-6-10-15)19-14(18)12-8-4-3-7-11(12)13(16)17/h3-4,7-8H,2,5-6,9-10H2,1H3,(H,16,17).
What are the key properties of 2-(1-methylcyclohexyl)oxycarbonylbenzoic acid?
2-(1-methylcyclohexyl)oxycarbonylbenzoic acid has a molecular weight of 262.31 g/mol, XLogP of 3.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylcyclohexyl)oxycarbonylbenzoic acid is sourced from PubChem (CID 11747408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).