3-[4-(cyclohexylmethoxy)-3-(4-methoxyphenyl)phenyl]prop-2-enoic acid

C23H26O4 — CID 141008558

IUPAC3-[4-(cyclohexylmethoxy)-3-(4-methoxyphenyl)phenyl]prop-2-enoic acid
SMILESCOc1ccc(-c2cc(C=CC(=O)O)ccc2OCC2CCCCC2)cc1
InChIInChI=1S/C23H26O4/c1-26-20-11-9-19(10-12-20)21-15-17(8-14-23(24)25)7-13-22(21)27-16-18-5-3-2-4-6-18/h7-15,18H,2-6,16H2,1H3,(H,24,25)
InChIKeyYDQZCOLBMHZILO-UHFFFAOYSA-N
MW366.46 g/mol
LogP5.42
Rot. Bonds7

About 3-[4-(cyclohexylmethoxy)-3-(4-methoxyphenyl)phenyl]prop-2-enoic acid

3-[4-(cyclohexylmethoxy)-3-(4-methoxyphenyl)phenyl]prop-2-enoic acid (PubChem CID 141008558) has the molecular formula C23H26O4 and a molecular weight of 366.46 g/mol. Its IUPAC name is 3-[4-(cyclohexylmethoxy)-3-(4-methoxyphenyl)phenyl]prop-2-enoic acid.

Molecular Properties

Compound Name3-[4-(cyclohexylmethoxy)-3-(4-methoxyphenyl)phenyl]prop-2-enoic acid
PubChem CID141008558
Molecular FormulaC23H26O4
Molecular Weight366.46 g/mol
Exact Mass366.18
IUPAC Name3-[4-(cyclohexylmethoxy)-3-(4-methoxyphenyl)phenyl]prop-2-enoic acid
SMILESCOc1ccc(-c2cc(C=CC(=O)O)ccc2OCC2CCCCC2)cc1
InChIInChI=1S/C23H26O4/c1-26-20-11-9-19(10-12-20)21-15-17(8-14-23(24)25)7-13-22(21)27-16-18-5-3-2-4-6-18/h7-15,18H,2-6,16H2,1H3,(H,24,25)
InChIKeyYDQZCOLBMHZILO-UHFFFAOYSA-N
XLogP5.42
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.46
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

ethyl 3-[4-(cyclohexylmethoxy)-3-phenylphenyl]prop-2-enoate
CID 142646014
(E)-3-[3-ethoxy-4-(4-methoxyphenyl)phenyl]prop-2-enoic acid
CID 22987086
3-[4-(cyclohexylmethoxy)-3-methoxy-5-phenylphenyl]prop-2-enoic acid
CID 141008554
3-[2-(cyclopentylmethoxy)-4-methoxyphenyl]prop-2-enoic acid
CID 76898220
4-(cyclohexylmethoxy)-3-(4-phenylmethoxyphenyl)benzaldehyde
CID 22616636
(E)-3-(4-methoxyphenyl)prop-2-enoic acid;methylcyclopropane
CID 67564177
(E)-3-[4-[2-[cyclohexyl(methyl)amino]ethoxy]-3-methoxyphenyl]prop-2-enoic acid
CID 39102697
3-[3-(cyclohexyloxymethyl)-4-methoxyphenyl]prop-2-enoic acid
CID 76908216
3-[3-bromo-4-(oxan-4-ylmethoxy)phenyl]prop-2-enoic acid
CID 76983063
azane;3-(4-methoxyphenyl)prop-2-enoic acid
CID 69170701
CID 69129935
CID 69129935
(E)-3-(4-cyclopentyloxy-3-methoxyphenyl)prop-2-enoic acid
CID 43147789

Frequently Asked Questions

What is the IUPAC name of 3-[4-(cyclohexylmethoxy)-3-(4-methoxyphenyl)phenyl]prop-2-enoic acid?
The IUPAC name of 3-[4-(cyclohexylmethoxy)-3-(4-methoxyphenyl)phenyl]prop-2-enoic acid (CID 141008558) is 3-[4-(cyclohexylmethoxy)-3-(4-methoxyphenyl)phenyl]prop-2-enoic acid.
What is the SMILES notation for 3-[4-(cyclohexylmethoxy)-3-(4-methoxyphenyl)phenyl]prop-2-enoic acid?
The canonical SMILES for 3-[4-(cyclohexylmethoxy)-3-(4-methoxyphenyl)phenyl]prop-2-enoic acid is COc1ccc(-c2cc(C=CC(=O)O)ccc2OCC2CCCCC2)cc1.
What is the InChIKey of 3-[4-(cyclohexylmethoxy)-3-(4-methoxyphenyl)phenyl]prop-2-enoic acid?
The InChIKey is YDQZCOLBMHZILO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26O4/c1-26-20-11-9-19(10-12-20)21-15-17(8-14-23(24)25)7-13-22(21)27-16-18-5-3-2-4-6-18/h7-15,18H,2-6,16H2,1H3,(H,24,25).
What are the key properties of 3-[4-(cyclohexylmethoxy)-3-(4-methoxyphenyl)phenyl]prop-2-enoic acid?
3-[4-(cyclohexylmethoxy)-3-(4-methoxyphenyl)phenyl]prop-2-enoic acid has a molecular weight of 366.46 g/mol, XLogP of 5.42, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(cyclohexylmethoxy)-3-(4-methoxyphenyl)phenyl]prop-2-enoic acid is sourced from PubChem (CID 141008558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).