ethane;3-methyl-2-[6-[4-methyl-3-(1-methylcyclohexyl)phenyl]naphthalen-2-yl]cyclohex-2-en-1-one

C35H46O — CID 143134535

IUPACethane;3-methyl-2-[6-[4-methyl-3-(1-methylcyclohexyl)phenyl]naphthalen-2-yl]cyclohex-2-en-1-one
SMILESCC.CC.CC1=C(c2ccc3cc(-c4ccc(C)c(C5(C)CCCCC5)c4)ccc3c2)C(=O)CCC1
InChIInChI=1S/C31H34O.2C2H6/c1-21-10-11-26(20-28(21)31(3)16-5-4-6-17-31)24-12-13-25-19-27(15-14-23(25)18-24)30-22(2)8-7-9-29(30)32;2*1-2/h10-15,18-20H,4-9,16-17H2,1-3H3;2*1-2H3
InChIKeyWEYDKAZARHAYFO-UHFFFAOYSA-N
MW482.75 g/mol
LogP10.62
Rot. Bonds3

About ethane;3-methyl-2-[6-[4-methyl-3-(1-methylcyclohexyl)phenyl]naphthalen-2-yl]cyclohex-2-en-1-one

ethane;3-methyl-2-[6-[4-methyl-3-(1-methylcyclohexyl)phenyl]naphthalen-2-yl]cyclohex-2-en-1-one (PubChem CID 143134535) has the molecular formula C35H46O and a molecular weight of 482.75 g/mol. Its IUPAC name is ethane;3-methyl-2-[6-[4-methyl-3-(1-methylcyclohexyl)phenyl]naphthalen-2-yl]cyclohex-2-en-1-one.

Molecular Properties

Compound Nameethane;3-methyl-2-[6-[4-methyl-3-(1-methylcyclohexyl)phenyl]naphthalen-2-yl]cyclohex-2-en-1-one
PubChem CID143134535
Molecular FormulaC35H46O
Molecular Weight482.75 g/mol
Exact Mass482.35
IUPAC Nameethane;3-methyl-2-[6-[4-methyl-3-(1-methylcyclohexyl)phenyl]naphthalen-2-yl]cyclohex-2-en-1-one
SMILESCC.CC.CC1=C(c2ccc3cc(-c4ccc(C)c(C5(C)CCCCC5)c4)ccc3c2)C(=O)CCC1
InChIInChI=1S/C31H34O.2C2H6/c1-21-10-11-26(20-28(21)31(3)16-5-4-6-17-31)24-12-13-25-19-27(15-14-23(25)18-24)30-22(2)8-7-9-29(30)32;2*1-2/h10-15,18-20H,4-9,16-17H2,1-3H3;2*1-2H3
InChIKeyWEYDKAZARHAYFO-UHFFFAOYSA-N
XLogP10.62
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.75
LogP ≤ 510.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze ethane;3-methyl-2-[6-[4-methyl-3-(1-methylcyclohexyl)phenyl]naphthalen-2-yl]cyclohex-2-en-1-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethane;3-methyl-2-[6-[4-methyl-3-(1-methylcyclohexyl)phenyl]naphthalen-2-yl]cyclohex-2-en-1-one?
The IUPAC name of ethane;3-methyl-2-[6-[4-methyl-3-(1-methylcyclohexyl)phenyl]naphthalen-2-yl]cyclohex-2-en-1-one (CID 143134535) is ethane;3-methyl-2-[6-[4-methyl-3-(1-methylcyclohexyl)phenyl]naphthalen-2-yl]cyclohex-2-en-1-one.
What is the SMILES notation for ethane;3-methyl-2-[6-[4-methyl-3-(1-methylcyclohexyl)phenyl]naphthalen-2-yl]cyclohex-2-en-1-one?
The canonical SMILES for ethane;3-methyl-2-[6-[4-methyl-3-(1-methylcyclohexyl)phenyl]naphthalen-2-yl]cyclohex-2-en-1-one is CC.CC.CC1=C(c2ccc3cc(-c4ccc(C)c(C5(C)CCCCC5)c4)ccc3c2)C(=O)CCC1.
What is the InChIKey of ethane;3-methyl-2-[6-[4-methyl-3-(1-methylcyclohexyl)phenyl]naphthalen-2-yl]cyclohex-2-en-1-one?
The InChIKey is WEYDKAZARHAYFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H34O.2C2H6/c1-21-10-11-26(20-28(21)31(3)16-5-4-6-17-31)24-12-13-25-19-27(15-14-23(25)18-24)30-22(2)8-7-9-29(30)32;2*1-2/h10-15,18-20H,4-9,16-17H2,1-3H3;2*1-2H3.
What are the key properties of ethane;3-methyl-2-[6-[4-methyl-3-(1-methylcyclohexyl)phenyl]naphthalen-2-yl]cyclohex-2-en-1-one?
ethane;3-methyl-2-[6-[4-methyl-3-(1-methylcyclohexyl)phenyl]naphthalen-2-yl]cyclohex-2-en-1-one has a molecular weight of 482.75 g/mol, XLogP of 10.62, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-methyl-2-[6-[4-methyl-3-(1-methylcyclohexyl)phenyl]naphthalen-2-yl]cyclohex-2-en-1-one is sourced from PubChem (CID 143134535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).