2-[7-(2-ethyl-4-methylphenyl)-3-[4-(hydroxymethyl)phenyl]naphthalen-2-yl]ethyl 2-methylprop-2-enoate

C32H32O3 — CID 145121880

IUPAC2-[7-(2-ethyl-4-methylphenyl)-3-[4-(hydroxymethyl)phenyl]naphthalen-2-yl]ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCc1cc2cc(-c3ccc(C)cc3CC)ccc2cc1-c1ccc(CO)cc1
InChIInChI=1S/C32H32O3/c1-5-24-16-22(4)6-13-30(24)27-12-11-26-19-31(25-9-7-23(20-33)8-10-25)28(18-29(26)17-27)14-15-35-32(34)21(2)3/h6-13,16-19,33H,2,5,14-15,20H2,1,3-4H3
InChIKeyPXMPZNQDOMYQBB-UHFFFAOYSA-N
MW464.61 g/mol
LogP7.20
Rot. Bonds8

About 2-[7-(2-ethyl-4-methylphenyl)-3-[4-(hydroxymethyl)phenyl]naphthalen-2-yl]ethyl 2-methylprop-2-enoate

2-[7-(2-ethyl-4-methylphenyl)-3-[4-(hydroxymethyl)phenyl]naphthalen-2-yl]ethyl 2-methylprop-2-enoate (PubChem CID 145121880) has the molecular formula C32H32O3 and a molecular weight of 464.61 g/mol. Its IUPAC name is 2-[7-(2-ethyl-4-methylphenyl)-3-[4-(hydroxymethyl)phenyl]naphthalen-2-yl]ethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-[7-(2-ethyl-4-methylphenyl)-3-[4-(hydroxymethyl)phenyl]naphthalen-2-yl]ethyl 2-methylprop-2-enoate
PubChem CID145121880
Molecular FormulaC32H32O3
Molecular Weight464.61 g/mol
Exact Mass464.24
IUPAC Name2-[7-(2-ethyl-4-methylphenyl)-3-[4-(hydroxymethyl)phenyl]naphthalen-2-yl]ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCc1cc2cc(-c3ccc(C)cc3CC)ccc2cc1-c1ccc(CO)cc1
InChIInChI=1S/C32H32O3/c1-5-24-16-22(4)6-13-30(24)27-12-11-26-19-31(25-9-7-23(20-33)8-10-25)28(18-29(26)17-27)14-15-35-32(34)21(2)3/h6-13,16-19,33H,2,5,14-15,20H2,1,3-4H3
InChIKeyPXMPZNQDOMYQBB-UHFFFAOYSA-N
XLogP7.20
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.61
LogP ≤ 57.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[7-(2-ethyl-4-methylphenyl)-3-[4-(hydroxymethyl)phenyl]naphthalen-2-yl]ethyl 2-methylprop-2-enoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[2-[3-ethyl-4-[4-(3-hydroxypropyl)phenyl]phenyl]-5-methylphenyl]propyl 2-methylprop-2-enoate
CID 134193727
2-[2-[4-(hydroxymethyl)phenyl]-5-methylphenoxy]ethyl 2-methylprop-2-enoate
CID 134200446
2-[2-[6-[4-(3-hydroxypropyl)-3-[2-(2-methylprop-2-enoyloxy)ethyl]phenyl]naphthalen-2-yl]-5-pentylphenyl]ethyl 2-methylprop-2-enoate
CID 134193926
2-[4-ethyl-2-[3-ethyl-4-(4-pentylphenyl)phenyl]-5-(2-hydroxyethoxy)phenyl]ethyl 2-methylprop-2-enoate
CID 134193598
2-[2-(2-fluoro-4-methylphenyl)-5-(2-hydroxyethyl)phenyl]ethyl 2-methylprop-2-enoate
CID 134200385
2-[5-decyl-2-[4-(3-hydroxypropyl)phenyl]phenyl]ethyl 2-methylprop-2-enoate
CID 134193213
2-[5-(2-fluoro-4-methylphenyl)-2-(2-hydroxyethyl)phenyl]ethyl 2-methylprop-2-enoate
CID 134200354
2-[5-[2-ethyl-4-(4-pentylphenyl)phenyl]-2-(3-hydroxypropyl)phenyl]ethyl 2-methylprop-2-enoate
CID 134193365
[2-[2-[4-(hydroxymethyl)phenyl]ethyl]-5-methylphenyl]methyl 2-methylprop-2-enoate
CID 134200295
2-[2-(2-fluoro-4-propylphenyl)-5-(hydroxymethyl)phenyl]ethyl 2-methylprop-2-enoate
CID 134193114
3-[5-[4-[4-(4-butylphenyl)-3-ethylphenyl]-2-ethylphenyl]-2-methyl-3-[3-(2-methylprop-2-enoyloxy)propyl]phenyl]propyl 2-methylprop-2-enoate;3-[5-[2-ethyl-4-[3-ethyl-4-(4-ethylphenyl)phenyl]phenyl]-2-methyl-3-[3-(2-methylprop-2-enoyloxy)propyl]phenyl]propyl 2-methylprop-2-enoate;3-[5-[2-ethyl-4-[3-ethyl-4-(4-methylphenyl)phenyl]phenyl]-2-methyl-3-[3-(2-methylprop-2-enoyloxy)propyl]phenyl]propyl 2-methylprop-2-enoate;3-[5-[2-ethyl-4-[3-ethyl-4-(4-propylphenyl)phenyl]phenyl]-2-methyl-3-[3-(2-methylprop-2-enoyloxy)propyl]phenyl]propyl 2-methylprop-2-enoate
CID 162198121
2-[2-[2-[3-ethyl-4-[4-(3-hydroxypropyl)phenyl]phenyl]ethyl]-5-pentylphenyl]ethyl 2-methylprop-2-enoate
CID 134193731

Frequently Asked Questions

What is the IUPAC name of 2-[7-(2-ethyl-4-methylphenyl)-3-[4-(hydroxymethyl)phenyl]naphthalen-2-yl]ethyl 2-methylprop-2-enoate?
The IUPAC name of 2-[7-(2-ethyl-4-methylphenyl)-3-[4-(hydroxymethyl)phenyl]naphthalen-2-yl]ethyl 2-methylprop-2-enoate (CID 145121880) is 2-[7-(2-ethyl-4-methylphenyl)-3-[4-(hydroxymethyl)phenyl]naphthalen-2-yl]ethyl 2-methylprop-2-enoate.
What is the SMILES notation for 2-[7-(2-ethyl-4-methylphenyl)-3-[4-(hydroxymethyl)phenyl]naphthalen-2-yl]ethyl 2-methylprop-2-enoate?
The canonical SMILES for 2-[7-(2-ethyl-4-methylphenyl)-3-[4-(hydroxymethyl)phenyl]naphthalen-2-yl]ethyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCc1cc2cc(-c3ccc(C)cc3CC)ccc2cc1-c1ccc(CO)cc1.
What is the InChIKey of 2-[7-(2-ethyl-4-methylphenyl)-3-[4-(hydroxymethyl)phenyl]naphthalen-2-yl]ethyl 2-methylprop-2-enoate?
The InChIKey is PXMPZNQDOMYQBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H32O3/c1-5-24-16-22(4)6-13-30(24)27-12-11-26-19-31(25-9-7-23(20-33)8-10-25)28(18-29(26)17-27)14-15-35-32(34)21(2)3/h6-13,16-19,33H,2,5,14-15,20H2,1,3-4H3.
What are the key properties of 2-[7-(2-ethyl-4-methylphenyl)-3-[4-(hydroxymethyl)phenyl]naphthalen-2-yl]ethyl 2-methylprop-2-enoate?
2-[7-(2-ethyl-4-methylphenyl)-3-[4-(hydroxymethyl)phenyl]naphthalen-2-yl]ethyl 2-methylprop-2-enoate has a molecular weight of 464.61 g/mol, XLogP of 7.20, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-(2-ethyl-4-methylphenyl)-3-[4-(hydroxymethyl)phenyl]naphthalen-2-yl]ethyl 2-methylprop-2-enoate is sourced from PubChem (CID 145121880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).