[5-(2-hydroxyethoxy)-2-[4-(4-methylcyclohexyl)phenyl]phenyl] 2-methylprop-2-enoate

C25H30O4 — CID 145122769

IUPAC[5-(2-hydroxyethoxy)-2-[4-(4-methylcyclohexyl)phenyl]phenyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)Oc1cc(OCCO)ccc1-c1ccc(C2CCC(C)CC2)cc1
InChIInChI=1S/C25H30O4/c1-17(2)25(27)29-24-16-22(28-15-14-26)12-13-23(24)21-10-8-20(9-11-21)19-6-4-18(3)5-7-19/h8-13,16,18-19,26H,1,4-7,14-15H2,2-3H3
InChIKeyLOHQTRIWMBEYPI-UHFFFAOYSA-N
MW394.51 g/mol
LogP5.50
Rot. Bonds7

About [5-(2-hydroxyethoxy)-2-[4-(4-methylcyclohexyl)phenyl]phenyl] 2-methylprop-2-enoate

[5-(2-hydroxyethoxy)-2-[4-(4-methylcyclohexyl)phenyl]phenyl] 2-methylprop-2-enoate (PubChem CID 145122769) has the molecular formula C25H30O4 and a molecular weight of 394.51 g/mol. Its IUPAC name is [5-(2-hydroxyethoxy)-2-[4-(4-methylcyclohexyl)phenyl]phenyl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[5-(2-hydroxyethoxy)-2-[4-(4-methylcyclohexyl)phenyl]phenyl] 2-methylprop-2-enoate
PubChem CID145122769
Molecular FormulaC25H30O4
Molecular Weight394.51 g/mol
Exact Mass394.21
IUPAC Name[5-(2-hydroxyethoxy)-2-[4-(4-methylcyclohexyl)phenyl]phenyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)Oc1cc(OCCO)ccc1-c1ccc(C2CCC(C)CC2)cc1
InChIInChI=1S/C25H30O4/c1-17(2)25(27)29-24-16-22(28-15-14-26)12-13-23(24)21-10-8-20(9-11-21)19-6-4-18(3)5-7-19/h8-13,16,18-19,26H,1,4-7,14-15H2,2-3H3
InChIKeyLOHQTRIWMBEYPI-UHFFFAOYSA-N
XLogP5.50
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.51
LogP ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[5-(2-hydroxyethoxy)-2-(4-methylcyclohexyl)phenyl]ethyl 2-methylprop-2-enoate
CID 134200465
2-[2-(2-hydroxyethyl)-5-[4-(4-methylcyclohexyl)phenyl]phenoxy]ethyl 2-methylprop-2-enoate
CID 145122691
[2-(4-cyclohexylphenyl)-5-(hydroxymethyl)phenyl] 2-methylprop-2-enoate
CID 134200413
[5-[2-fluoro-4-[4-(4-methylcyclohexyl)phenyl]phenyl]-2-[2-(2-hydroxyethoxy)ethoxy]phenyl]methyl 2-methylprop-2-enoate
CID 145122332
2-[5-cyclohexyl-2-[4-(2-hydroxyethoxy)phenyl]phenyl]ethyl 2-methylprop-2-enoate
CID 134200423
2-[2-[4-(3-hydroxypropyl)phenyl]-5-[4-(4-methylcyclohexyl)phenyl]-3-[2-(2-methylprop-2-enoyloxy)ethoxy]phenoxy]ethyl 2-methylprop-2-enoate
CID 145122876
2-[4-[4-[2-methoxy-4-(2-methylprop-2-enoyloxy)phenyl]phenyl]-3-[2-(2-methylprop-2-enoyloxy)ethoxy]phenoxy]ethyl 2-methylprop-2-enoate
CID 163298238
2-[5-[2-ethyl-4-(4-methylcyclohexyl)phenyl]-2-[4-(3-hydroxypropyl)phenyl]-4-[2-(2-methylprop-2-enoyloxy)ethoxy]phenoxy]ethyl 2-methylprop-2-enoate
CID 145122647
2-[2-(3-hydroxypropyl)-5-[4-(4-methylcyclohexyl)phenyl]-3-[2-(2-methylprop-2-enoyloxy)ethoxy]phenoxy]ethyl 2-methylpropanoate
CID 163497687
2-[2-[2-fluoro-4-[4-(4-methylcyclohexyl)phenyl]phenyl]-5-(2-hydroxyethyl)phenyl]ethyl 2-methylprop-2-enoate
CID 145121894
[4-[4-[2,4-bis(2-methylprop-2-enoyloxy)phenyl]phenyl]phenyl] 2-methylprop-2-enoate;[2-fluoro-4-[4-[3-fluoro-4-(2-methylprop-2-enoyloxy)phenyl]phenyl]phenyl] 2-methylprop-2-enoate;[4-[3-methyl-4-[4-(2-methylprop-2-enoyloxy)phenyl]phenyl]phenyl] 2-methylprop-2-enoate;3-[4-[3-methyl-4-[4-[3-(2-methylprop-2-enoyloxy)propoxy]phenyl]phenyl]phenoxy]propyl 2-methylprop-2-enoate;[4-[4-[6-(2-methylprop-2-enoyloxy)naphthalen-2-yl]phenyl]phenyl] 2-methylprop-2-enoate;[4-[4-[4-[4-(2-methylprop-2-enoyloxy)phenyl]phenyl]phenyl]cyclohexyl] 2-methylprop-2-enoate;[4-[4-[4-(2-methylprop-2-enoyloxy)phenyl]phenyl]phenyl] 2-methylprop-2-enoate;[4-[4-[4-[4-(2-methylprop-2-enoyloxy)phenyl]phenyl]phenyl]phenyl] 2-methylprop-2-enoate
CID 157266020
[4-[4-(2-methylprop-2-enoyloxy)-3-[4-(4-propylcyclohexyl)phenyl]phenyl]phenyl] 2-(methoxymethyl)prop-2-enoate
CID 146668096

Frequently Asked Questions

What is the IUPAC name of [5-(2-hydroxyethoxy)-2-[4-(4-methylcyclohexyl)phenyl]phenyl] 2-methylprop-2-enoate?
The IUPAC name of [5-(2-hydroxyethoxy)-2-[4-(4-methylcyclohexyl)phenyl]phenyl] 2-methylprop-2-enoate (CID 145122769) is [5-(2-hydroxyethoxy)-2-[4-(4-methylcyclohexyl)phenyl]phenyl] 2-methylprop-2-enoate.
What is the SMILES notation for [5-(2-hydroxyethoxy)-2-[4-(4-methylcyclohexyl)phenyl]phenyl] 2-methylprop-2-enoate?
The canonical SMILES for [5-(2-hydroxyethoxy)-2-[4-(4-methylcyclohexyl)phenyl]phenyl] 2-methylprop-2-enoate is C=C(C)C(=O)Oc1cc(OCCO)ccc1-c1ccc(C2CCC(C)CC2)cc1.
What is the InChIKey of [5-(2-hydroxyethoxy)-2-[4-(4-methylcyclohexyl)phenyl]phenyl] 2-methylprop-2-enoate?
The InChIKey is LOHQTRIWMBEYPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30O4/c1-17(2)25(27)29-24-16-22(28-15-14-26)12-13-23(24)21-10-8-20(9-11-21)19-6-4-18(3)5-7-19/h8-13,16,18-19,26H,1,4-7,14-15H2,2-3H3.
What are the key properties of [5-(2-hydroxyethoxy)-2-[4-(4-methylcyclohexyl)phenyl]phenyl] 2-methylprop-2-enoate?
[5-(2-hydroxyethoxy)-2-[4-(4-methylcyclohexyl)phenyl]phenyl] 2-methylprop-2-enoate has a molecular weight of 394.51 g/mol, XLogP of 5.50, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-hydroxyethoxy)-2-[4-(4-methylcyclohexyl)phenyl]phenyl] 2-methylprop-2-enoate is sourced from PubChem (CID 145122769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).