4-(cyclohexen-1-yl)-3,5-dimethoxybenzoic acid

C15H18O4 — CID 146623160

IUPAC4-(cyclohexen-1-yl)-3,5-dimethoxybenzoic acid
SMILESCOc1cc(C(=O)O)cc(OC)c1C1=CCCCC1
InChIInChI=1S/C15H18O4/c1-18-12-8-11(15(16)17)9-13(19-2)14(12)10-6-4-3-5-7-10/h6,8-9H,3-5,7H2,1-2H3,(H,16,17)
InChIKeyBUUULWJAYOZTPE-UHFFFAOYSA-N
MW262.31 g/mol
LogP3.36
Rot. Bonds4

About 4-(cyclohexen-1-yl)-3,5-dimethoxybenzoic acid

4-(cyclohexen-1-yl)-3,5-dimethoxybenzoic acid (PubChem CID 146623160) has the molecular formula C15H18O4 and a molecular weight of 262.31 g/mol. Its IUPAC name is 4-(cyclohexen-1-yl)-3,5-dimethoxybenzoic acid.

Molecular Properties

Compound Name4-(cyclohexen-1-yl)-3,5-dimethoxybenzoic acid
PubChem CID146623160
Molecular FormulaC15H18O4
Molecular Weight262.31 g/mol
Exact Mass262.12
IUPAC Name4-(cyclohexen-1-yl)-3,5-dimethoxybenzoic acid
SMILESCOc1cc(C(=O)O)cc(OC)c1C1=CCCCC1
InChIInChI=1S/C15H18O4/c1-18-12-8-11(15(16)17)9-13(19-2)14(12)10-6-4-3-5-7-10/h6,8-9H,3-5,7H2,1-2H3,(H,16,17)
InChIKeyBUUULWJAYOZTPE-UHFFFAOYSA-N
XLogP3.36
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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4-carboxy-2,6-dimethoxyphenolate
CID 54694262
4-hydroxy-3,5-dimethoxybenzoic acid;hydrochloride
CID 162316978
2-bromo-1,5-dimethoxy-3-(trifluoromethyl)benzene;2-(cyclohexen-1-yl)-1,5-dimethoxy-3-(trifluoromethyl)benzene
CID 159657134
3,5-dimethoxy-4-(111C)methylidyneazaniumylbenzoic acid
CID 177120819
4-(cyclohexen-1-yl)-3-ethylbenzoic acid
CID 59316804
3,5-dimethoxy-4-(1H-pyrazol-4-yl)benzoic acid
CID 122560425
4-(4-acetylphenyl)-3,5-dimethoxybenzoic acid
CID 102584485
4-cyclohexyl-3,5-dimethoxybenzoic acid
CID 170351500
7-methoxy-1H-indole-5-carboxylic acid
CID 15247554
3,4-dimethoxy-5-prop-1-ynylbenzoic acid
CID 68685838

Frequently Asked Questions

What is the IUPAC name of 4-(cyclohexen-1-yl)-3,5-dimethoxybenzoic acid?
The IUPAC name of 4-(cyclohexen-1-yl)-3,5-dimethoxybenzoic acid (CID 146623160) is 4-(cyclohexen-1-yl)-3,5-dimethoxybenzoic acid.
What is the SMILES notation for 4-(cyclohexen-1-yl)-3,5-dimethoxybenzoic acid?
The canonical SMILES for 4-(cyclohexen-1-yl)-3,5-dimethoxybenzoic acid is COc1cc(C(=O)O)cc(OC)c1C1=CCCCC1.
What is the InChIKey of 4-(cyclohexen-1-yl)-3,5-dimethoxybenzoic acid?
The InChIKey is BUUULWJAYOZTPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O4/c1-18-12-8-11(15(16)17)9-13(19-2)14(12)10-6-4-3-5-7-10/h6,8-9H,3-5,7H2,1-2H3,(H,16,17).
What are the key properties of 4-(cyclohexen-1-yl)-3,5-dimethoxybenzoic acid?
4-(cyclohexen-1-yl)-3,5-dimethoxybenzoic acid has a molecular weight of 262.31 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexen-1-yl)-3,5-dimethoxybenzoic acid is sourced from PubChem (CID 146623160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).