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

C21H30O4 — CID 134200465

IUPAC2-[5-(2-hydroxyethoxy)-2-(4-methylcyclohexyl)phenyl]ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCc1cc(OCCO)ccc1C1CCC(C)CC1
InChIInChI=1S/C21H30O4/c1-15(2)21(23)25-12-10-18-14-19(24-13-11-22)8-9-20(18)17-6-4-16(3)5-7-17/h8-9,14,16-17,22H,1,4-7,10-13H2,2-3H3
InChIKeyLXFZTWGZMNSGDZ-UHFFFAOYSA-N
MW346.47 g/mol
LogP4.01
Rot. Bonds8

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

2-[5-(2-hydroxyethoxy)-2-(4-methylcyclohexyl)phenyl]ethyl 2-methylprop-2-enoate (PubChem CID 134200465) has the molecular formula C21H30O4 and a molecular weight of 346.47 g/mol. Its IUPAC name is 2-[5-(2-hydroxyethoxy)-2-(4-methylcyclohexyl)phenyl]ethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-[5-(2-hydroxyethoxy)-2-(4-methylcyclohexyl)phenyl]ethyl 2-methylprop-2-enoate
PubChem CID134200465
Molecular FormulaC21H30O4
Molecular Weight346.47 g/mol
Exact Mass346.21
IUPAC Name2-[5-(2-hydroxyethoxy)-2-(4-methylcyclohexyl)phenyl]ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCc1cc(OCCO)ccc1C1CCC(C)CC1
InChIInChI=1S/C21H30O4/c1-15(2)21(23)25-12-10-18-14-19(24-13-11-22)8-9-20(18)17-6-4-16(3)5-7-17/h8-9,14,16-17,22H,1,4-7,10-13H2,2-3H3
InChIKeyLXFZTWGZMNSGDZ-UHFFFAOYSA-N
XLogP4.01
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[5-cyclohexyl-2-[4-(2-hydroxyethoxy)phenyl]phenyl]ethyl 2-methylprop-2-enoate
CID 134200423
2-[3-ethyl-4-(4-pentylcyclohexyl)phenoxy]ethyl 2-methylprop-2-enoate;N-methylmethanamine
CID 142282043
[5-(2-hydroxyethoxy)-2-[4-(4-methylcyclohexyl)phenyl]phenyl] 2-methylprop-2-enoate
CID 145122769
2-[5-cyclohexyl-2-[4-[4-(2-hydroxyethoxy)phenyl]phenyl]-4-[2-(2-methylprop-2-enoyloxy)ethoxy]phenoxy]ethyl 2-methylprop-2-enoate
CID 134201044
[5-[4-(hydroxymethyl)phenyl]-2-(4-methylcyclohexyl)phenyl]methyl 2-methylprop-2-enoate
CID 145122339
2-[2-(2-hydroxyethyl)-5-[4-(4-methylcyclohexyl)phenyl]phenoxy]ethyl 2-methylprop-2-enoate
CID 145122691
2-[2-[2-fluoro-4-[4-(4-methylcyclohexyl)phenyl]phenyl]-5-(2-hydroxyethyl)phenyl]ethyl 2-methylprop-2-enoate
CID 145121894
2-[2-(3-hydroxypropyl)-5-[4-(4-methylcyclohexyl)phenyl]-3-[2-(2-methylprop-2-enoyloxy)ethoxy]phenoxy]ethyl 2-methylpropanoate
CID 163497687
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-[2-[3-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]phenoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 118333861
2-[2-(2-hydroxyethoxy)-5-(4-propylcyclohexyl)phenoxy]ethyl 2-methylprop-2-enoate
CID 134193064
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

Frequently Asked Questions

What is the IUPAC name of 2-[5-(2-hydroxyethoxy)-2-(4-methylcyclohexyl)phenyl]ethyl 2-methylprop-2-enoate?
The IUPAC name of 2-[5-(2-hydroxyethoxy)-2-(4-methylcyclohexyl)phenyl]ethyl 2-methylprop-2-enoate (CID 134200465) is 2-[5-(2-hydroxyethoxy)-2-(4-methylcyclohexyl)phenyl]ethyl 2-methylprop-2-enoate.
What is the SMILES notation for 2-[5-(2-hydroxyethoxy)-2-(4-methylcyclohexyl)phenyl]ethyl 2-methylprop-2-enoate?
The canonical SMILES for 2-[5-(2-hydroxyethoxy)-2-(4-methylcyclohexyl)phenyl]ethyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCc1cc(OCCO)ccc1C1CCC(C)CC1.
What is the InChIKey of 2-[5-(2-hydroxyethoxy)-2-(4-methylcyclohexyl)phenyl]ethyl 2-methylprop-2-enoate?
The InChIKey is LXFZTWGZMNSGDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30O4/c1-15(2)21(23)25-12-10-18-14-19(24-13-11-22)8-9-20(18)17-6-4-16(3)5-7-17/h8-9,14,16-17,22H,1,4-7,10-13H2,2-3H3.
What are the key properties of 2-[5-(2-hydroxyethoxy)-2-(4-methylcyclohexyl)phenyl]ethyl 2-methylprop-2-enoate?
2-[5-(2-hydroxyethoxy)-2-(4-methylcyclohexyl)phenyl]ethyl 2-methylprop-2-enoate has a molecular weight of 346.47 g/mol, XLogP of 4.01, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2-hydroxyethoxy)-2-(4-methylcyclohexyl)phenyl]ethyl 2-methylprop-2-enoate is sourced from PubChem (CID 134200465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).