methyl (Z)-3-[4-(4-hydroxyphenyl)cyclohexyl]prop-2-enoate

C16H20O3 — CID 42632615

IUPACmethyl (Z)-3-[4-(4-hydroxyphenyl)cyclohexyl]prop-2-enoate
SMILESCOC(=O)/C=C\C1CCC(c2ccc(O)cc2)CC1
InChIInChI=1S/C16H20O3/c1-19-16(18)11-4-12-2-5-13(6-3-12)14-7-9-15(17)10-8-14/h4,7-13,17H,2-3,5-6H2,1H3/b11-4-
InChIKeyBAGDEKGOWZNKSB-WCIBSUBMSA-N
MW260.33 g/mol
LogP3.40
Rot. Bonds3

About methyl (Z)-3-[4-(4-hydroxyphenyl)cyclohexyl]prop-2-enoate

methyl (Z)-3-[4-(4-hydroxyphenyl)cyclohexyl]prop-2-enoate (PubChem CID 42632615) has the molecular formula C16H20O3 and a molecular weight of 260.33 g/mol. Its IUPAC name is methyl (Z)-3-[4-(4-hydroxyphenyl)cyclohexyl]prop-2-enoate.

Molecular Properties

Compound Namemethyl (Z)-3-[4-(4-hydroxyphenyl)cyclohexyl]prop-2-enoate
PubChem CID42632615
Molecular FormulaC16H20O3
Molecular Weight260.33 g/mol
Exact Mass260.14
IUPAC Namemethyl (Z)-3-[4-(4-hydroxyphenyl)cyclohexyl]prop-2-enoate
SMILESCOC(=O)/C=C\C1CCC(c2ccc(O)cc2)CC1
InChIInChI=1S/C16H20O3/c1-19-16(18)11-4-12-2-5-13(6-3-12)14-7-9-15(17)10-8-14/h4,7-13,17H,2-3,5-6H2,1H3/b11-4-
InChIKeyBAGDEKGOWZNKSB-WCIBSUBMSA-N
XLogP3.40
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.33
LogP ≤ 53.40
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

methyl (E)-3-cyclobutylprop-2-enoate
CID 79872692
methyl (E)-3-(4-tert-butylcyclohexyl)prop-2-enoate
CID 104575626
(E)-3-[4-(4-bromophenyl)cyclohexyl]prop-2-enoic acid
CID 19097940
3-[4-(4-bromophenyl)cyclohexyl]prop-2-enoic acid
CID 56635800
methyl (E)-3-[(3S,4R)-3,4-dihydroxycyclopentyl]prop-2-enoate
CID 52916605
methyl (Z)-3-(3-oxocyclopentyl)prop-2-enoate
CID 131243033
4-[4-[(E)-prop-1-enyl]cyclohexyl]benzoic acid
CID 19938016
dimethyl (E)-2-(4-cyclopropylanilino)but-2-enedioate
CID 168570091
methyl (E)-3-(3,4-dimethoxycyclohexyl)prop-2-enoate
CID 44668441
1-methoxy-4-(4-prop-1-enylcyclohexyl)benzene
CID 123745381
methyl 3-(3,4-dioxocyclohexyl)prop-2-enoate
CID 123173978
4-[2-[4-(4-methoxyphenyl)cyclohexyl]ethenyl]-N-methylcyclohexan-1-amine
CID 71173126

Frequently Asked Questions

What is the IUPAC name of methyl (Z)-3-[4-(4-hydroxyphenyl)cyclohexyl]prop-2-enoate?
The IUPAC name of methyl (Z)-3-[4-(4-hydroxyphenyl)cyclohexyl]prop-2-enoate (CID 42632615) is methyl (Z)-3-[4-(4-hydroxyphenyl)cyclohexyl]prop-2-enoate.
What is the SMILES notation for methyl (Z)-3-[4-(4-hydroxyphenyl)cyclohexyl]prop-2-enoate?
The canonical SMILES for methyl (Z)-3-[4-(4-hydroxyphenyl)cyclohexyl]prop-2-enoate is COC(=O)/C=C\C1CCC(c2ccc(O)cc2)CC1.
What is the InChIKey of methyl (Z)-3-[4-(4-hydroxyphenyl)cyclohexyl]prop-2-enoate?
The InChIKey is BAGDEKGOWZNKSB-WCIBSUBMSA-N. The full InChI is InChI=1S/C16H20O3/c1-19-16(18)11-4-12-2-5-13(6-3-12)14-7-9-15(17)10-8-14/h4,7-13,17H,2-3,5-6H2,1H3/b11-4-.
What are the key properties of methyl (Z)-3-[4-(4-hydroxyphenyl)cyclohexyl]prop-2-enoate?
methyl (Z)-3-[4-(4-hydroxyphenyl)cyclohexyl]prop-2-enoate has a molecular weight of 260.33 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (Z)-3-[4-(4-hydroxyphenyl)cyclohexyl]prop-2-enoate is sourced from PubChem (CID 42632615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).