3-methoxy-4-(1-methylcyclohexyl)oxybenzoic acid

C15H20O4 — CID 117045757

IUPAC3-methoxy-4-(1-methylcyclohexyl)oxybenzoic acid
SMILESCOc1cc(C(=O)O)ccc1OC1(C)CCCCC1
InChIInChI=1S/C15H20O4/c1-15(8-4-3-5-9-15)19-12-7-6-11(14(16)17)10-13(12)18-2/h6-7,10H,3-5,8-9H2,1-2H3,(H,16,17)
InChIKeyHASODYRWGFXRNK-UHFFFAOYSA-N
MW264.32 g/mol
LogP3.49
Rot. Bonds4

About 3-methoxy-4-(1-methylcyclohexyl)oxybenzoic acid

3-methoxy-4-(1-methylcyclohexyl)oxybenzoic acid (PubChem CID 117045757) has the molecular formula C15H20O4 and a molecular weight of 264.32 g/mol. Its IUPAC name is 3-methoxy-4-(1-methylcyclohexyl)oxybenzoic acid.

Molecular Properties

Compound Name3-methoxy-4-(1-methylcyclohexyl)oxybenzoic acid
PubChem CID117045757
Molecular FormulaC15H20O4
Molecular Weight264.32 g/mol
Exact Mass264.14
IUPAC Name3-methoxy-4-(1-methylcyclohexyl)oxybenzoic acid
SMILESCOc1cc(C(=O)O)ccc1OC1(C)CCCCC1
InChIInChI=1S/C15H20O4/c1-15(8-4-3-5-9-15)19-12-7-6-11(14(16)17)10-13(12)18-2/h6-7,10H,3-5,8-9H2,1-2H3,(H,16,17)
InChIKeyHASODYRWGFXRNK-UHFFFAOYSA-N
XLogP3.49
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-methoxy-4-(1-methylcyclohexyl)oxyphenyl]ethanone
CID 117052296
3-fluoro-4-(1-methylcyclopentyl)oxybenzoic acid
CID 117096689
4-(1-methylcyclopentyl)oxybenzoic acid
CID 117045761
3,4-dimethoxybenzoic acid;methanol
CID 144580050
4-[5-(4-carboxy-2-methoxyphenoxy)pentoxy]-3-methoxybenzoic acid
CID 15329160
4-[3-(4-carboxy-2-methoxyphenoxy)propoxy]-3-methoxybenzoic acid
CID 11132553
4-(hydroxymethoxy)-3-methoxybenzoic acid
CID 142628335
4-hydroxy-3-methoxybenzoic acid;hydrate
CID 118665847
3-[(1-aminocyclohexanecarbonyl)amino]-4-methoxybenzoic acid
CID 63744800
(3,4-dimethoxyphenyl)-(2,2-dimethylcyclohexyl)methanone
CID 107176305
3-methoxy-2-(1-methylcyclopentyl)oxybenzoic acid
CID 117054021
2-[1-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]cyclohexyl]acetic acid
CID 146004384

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4-(1-methylcyclohexyl)oxybenzoic acid?
The IUPAC name of 3-methoxy-4-(1-methylcyclohexyl)oxybenzoic acid (CID 117045757) is 3-methoxy-4-(1-methylcyclohexyl)oxybenzoic acid.
What is the SMILES notation for 3-methoxy-4-(1-methylcyclohexyl)oxybenzoic acid?
The canonical SMILES for 3-methoxy-4-(1-methylcyclohexyl)oxybenzoic acid is COc1cc(C(=O)O)ccc1OC1(C)CCCCC1.
What is the InChIKey of 3-methoxy-4-(1-methylcyclohexyl)oxybenzoic acid?
The InChIKey is HASODYRWGFXRNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O4/c1-15(8-4-3-5-9-15)19-12-7-6-11(14(16)17)10-13(12)18-2/h6-7,10H,3-5,8-9H2,1-2H3,(H,16,17).
What are the key properties of 3-methoxy-4-(1-methylcyclohexyl)oxybenzoic acid?
3-methoxy-4-(1-methylcyclohexyl)oxybenzoic acid has a molecular weight of 264.32 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4-(1-methylcyclohexyl)oxybenzoic acid is sourced from PubChem (CID 117045757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).