4-(5-methoxy-2-phenylmethoxyphenyl)cyclohexane-1-carboxylic acid

C21H24O4 — CID 171115881

IUPAC4-(5-methoxy-2-phenylmethoxyphenyl)cyclohexane-1-carboxylic acid
SMILESCOc1ccc(OCc2ccccc2)c(C2CCC(C(=O)O)CC2)c1
InChIInChI=1S/C21H24O4/c1-24-18-11-12-20(25-14-15-5-3-2-4-6-15)19(13-18)16-7-9-17(10-8-16)21(22)23/h2-6,11-13,16-17H,7-10,14H2,1H3,(H,22,23)
InChIKeyWTMUFJZBTJOXMD-UHFFFAOYSA-N
MW340.42 g/mol
LogP4.63
Rot. Bonds6

About 4-(5-methoxy-2-phenylmethoxyphenyl)cyclohexane-1-carboxylic acid

4-(5-methoxy-2-phenylmethoxyphenyl)cyclohexane-1-carboxylic acid (PubChem CID 171115881) has the molecular formula C21H24O4 and a molecular weight of 340.42 g/mol. Its IUPAC name is 4-(5-methoxy-2-phenylmethoxyphenyl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-(5-methoxy-2-phenylmethoxyphenyl)cyclohexane-1-carboxylic acid
PubChem CID171115881
Molecular FormulaC21H24O4
Molecular Weight340.42 g/mol
Exact Mass340.17
IUPAC Name4-(5-methoxy-2-phenylmethoxyphenyl)cyclohexane-1-carboxylic acid
SMILESCOc1ccc(OCc2ccccc2)c(C2CCC(C(=O)O)CC2)c1
InChIInChI=1S/C21H24O4/c1-24-18-11-12-20(25-14-15-5-3-2-4-6-15)19(13-18)16-7-9-17(10-8-16)21(22)23/h2-6,11-13,16-17H,7-10,14H2,1H3,(H,22,23)
InChIKeyWTMUFJZBTJOXMD-UHFFFAOYSA-N
XLogP4.63
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(4-methoxy-3-phenylmethoxyphenyl)methylamino]cyclohexane-1-carboxylic acid
CID 120509612
1-[(4-methoxyphenyl)-(2-phenylmethoxyphenyl)methyl]piperidine-4-carboxylic acid
CID 3526557
4-(2-methoxy-5-methylphenyl)cyclohexane-1-carboxylic acid
CID 83652520
N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]cyclopropanecarboxamide
CID 9325326
[(2R,3S)-3-(2,5-dimethoxyphenyl)oxiran-2-yl]-(2-phenylmethoxyphenyl)methanone
CID 7036133
[(2S,3R)-3-(2,5-dimethoxyphenyl)oxiran-2-yl]-(2-phenylmethoxyphenyl)methanone
CID 7036132
1-[(4-methoxy-3-phenylmethoxyphenyl)methyl]piperidine-3-carboxylic acid
CID 122040812
2-ethynyl-4-methoxy-1-phenylmethoxybenzene
CID 154814757
methyl 5-bromo-2-ethoxy-4-phenylmethoxybenzoate;methyl 5-cyclopropyl-2-ethoxy-4-phenylmethoxybenzoate
CID 159523524
4-(5-methoxy-1H-indol-3-yl)cyclohexane-1-carboxylic acid
CID 83788644
N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-methylcyclopentanecarboxamide
CID 9118265
3-(2,5-dimethoxyphenyl)-2-hydroxy-4,7-bis(phenylmethoxy)-2,3-dihydroinden-1-one
CID 141347441

Frequently Asked Questions

What is the IUPAC name of 4-(5-methoxy-2-phenylmethoxyphenyl)cyclohexane-1-carboxylic acid?
The IUPAC name of 4-(5-methoxy-2-phenylmethoxyphenyl)cyclohexane-1-carboxylic acid (CID 171115881) is 4-(5-methoxy-2-phenylmethoxyphenyl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-(5-methoxy-2-phenylmethoxyphenyl)cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-(5-methoxy-2-phenylmethoxyphenyl)cyclohexane-1-carboxylic acid is COc1ccc(OCc2ccccc2)c(C2CCC(C(=O)O)CC2)c1.
What is the InChIKey of 4-(5-methoxy-2-phenylmethoxyphenyl)cyclohexane-1-carboxylic acid?
The InChIKey is WTMUFJZBTJOXMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24O4/c1-24-18-11-12-20(25-14-15-5-3-2-4-6-15)19(13-18)16-7-9-17(10-8-16)21(22)23/h2-6,11-13,16-17H,7-10,14H2,1H3,(H,22,23).
What are the key properties of 4-(5-methoxy-2-phenylmethoxyphenyl)cyclohexane-1-carboxylic acid?
4-(5-methoxy-2-phenylmethoxyphenyl)cyclohexane-1-carboxylic acid has a molecular weight of 340.42 g/mol, XLogP of 4.63, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methoxy-2-phenylmethoxyphenyl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 171115881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).