2-ethoxy-4-[1-(2-pentylcyclohexyl)propyl]-1-(4-phenylphenyl)benzene

C34H44O — CID 139711157

IUPAC2-ethoxy-4-[1-(2-pentylcyclohexyl)propyl]-1-(4-phenylphenyl)benzene
SMILESCCCCCC1CCCCC1C(CC)c1ccc(-c2ccc(-c3ccccc3)cc2)c(OCC)c1
InChIInChI=1S/C34H44O/c1-4-7-9-16-28-17-12-13-18-32(28)31(5-2)30-23-24-33(34(25-30)35-6-3)29-21-19-27(20-22-29)26-14-10-8-11-15-26/h8,10-11,14-15,19-25,28,31-32H,4-7,9,12-13,16-18H2,1-3H3
InChIKeyQNASKJLYWPINJG-UHFFFAOYSA-N
MW468.73 g/mol
LogP10.30
Rot. Bonds11

About 2-ethoxy-4-[1-(2-pentylcyclohexyl)propyl]-1-(4-phenylphenyl)benzene

2-ethoxy-4-[1-(2-pentylcyclohexyl)propyl]-1-(4-phenylphenyl)benzene (PubChem CID 139711157) has the molecular formula C34H44O and a molecular weight of 468.73 g/mol. Its IUPAC name is 2-ethoxy-4-[1-(2-pentylcyclohexyl)propyl]-1-(4-phenylphenyl)benzene.

Molecular Properties

Compound Name2-ethoxy-4-[1-(2-pentylcyclohexyl)propyl]-1-(4-phenylphenyl)benzene
PubChem CID139711157
Molecular FormulaC34H44O
Molecular Weight468.73 g/mol
Exact Mass468.34
IUPAC Name2-ethoxy-4-[1-(2-pentylcyclohexyl)propyl]-1-(4-phenylphenyl)benzene
SMILESCCCCCC1CCCCC1C(CC)c1ccc(-c2ccc(-c3ccccc3)cc2)c(OCC)c1
InChIInChI=1S/C34H44O/c1-4-7-9-16-28-17-12-13-18-32(28)31(5-2)30-23-24-33(34(25-30)35-6-3)29-21-19-27(20-22-29)26-14-10-8-11-15-26/h8,10-11,14-15,19-25,28,31-32H,4-7,9,12-13,16-18H2,1-3H3
InChIKeyQNASKJLYWPINJG-UHFFFAOYSA-N
XLogP10.30
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.73
LogP ≤ 510.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-methoxy-4-[1-(2-pentylcyclohexyl)propyl]-1-(4-phenylphenyl)benzene
CID 139711110
1-[1-(2-butylcyclohexyl)propyl]-2-(4-phenylphenyl)benzene
CID 139711116
1,3-difluoro-5-[1-(2-pentylcyclohexyl)propyl]-2-(4-phenylphenyl)benzene
CID 139711183
1-[3-fluoro-1-(2-propylcyclohexyl)propyl]-4-(4-phenylphenyl)benzene
CID 139711196
5-[1-(2-butylcyclohexyl)-3-fluoropropyl]-1,3-difluoro-2-(4-phenylphenyl)benzene
CID 139711149
1-phenyl-4-[2-[1-(2-propylcyclohexyl)ethyl]phenyl]benzene
CID 139711027
1-[1-(2-ethylcyclohexyl)-3-fluoropropyl]-4-(4-phenylphenyl)benzene
CID 139711152
1-ethoxy-2-[4-(4-phenylphenyl)phenyl]benzene
CID 151505413
2,4-diethoxy-1-phenylbenzene
CID 132889855
1-pentoxy-2-(4-phenylphenyl)benzene
CID 173284868
(2R)-1-chloro-2-[1-(4-phenylphenyl)propyl]piperidine
CID 122605589
2-ethoxy-1-[2-ethoxy-4-[4-(4-pentylcyclohexyl)phenyl]naphthalen-1-yl]-4-[4-(4-pentylcyclohexyl)phenyl]naphthalene
CID 102313483

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-4-[1-(2-pentylcyclohexyl)propyl]-1-(4-phenylphenyl)benzene?
The IUPAC name of 2-ethoxy-4-[1-(2-pentylcyclohexyl)propyl]-1-(4-phenylphenyl)benzene (CID 139711157) is 2-ethoxy-4-[1-(2-pentylcyclohexyl)propyl]-1-(4-phenylphenyl)benzene.
What is the SMILES notation for 2-ethoxy-4-[1-(2-pentylcyclohexyl)propyl]-1-(4-phenylphenyl)benzene?
The canonical SMILES for 2-ethoxy-4-[1-(2-pentylcyclohexyl)propyl]-1-(4-phenylphenyl)benzene is CCCCCC1CCCCC1C(CC)c1ccc(-c2ccc(-c3ccccc3)cc2)c(OCC)c1.
What is the InChIKey of 2-ethoxy-4-[1-(2-pentylcyclohexyl)propyl]-1-(4-phenylphenyl)benzene?
The InChIKey is QNASKJLYWPINJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H44O/c1-4-7-9-16-28-17-12-13-18-32(28)31(5-2)30-23-24-33(34(25-30)35-6-3)29-21-19-27(20-22-29)26-14-10-8-11-15-26/h8,10-11,14-15,19-25,28,31-32H,4-7,9,12-13,16-18H2,1-3H3.
What are the key properties of 2-ethoxy-4-[1-(2-pentylcyclohexyl)propyl]-1-(4-phenylphenyl)benzene?
2-ethoxy-4-[1-(2-pentylcyclohexyl)propyl]-1-(4-phenylphenyl)benzene has a molecular weight of 468.73 g/mol, XLogP of 10.30, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-4-[1-(2-pentylcyclohexyl)propyl]-1-(4-phenylphenyl)benzene is sourced from PubChem (CID 139711157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).