2-methyl-1-[4-[4-(4-prop-2-enylcyclohexyl)phenyl]phenyl]propan-1-ol

C25H32O — CID 67822720

IUPAC2-methyl-1-[4-[4-(4-prop-2-enylcyclohexyl)phenyl]phenyl]propan-1-ol
SMILESC=CCC1CCC(c2ccc(-c3ccc(C(O)C(C)C)cc3)cc2)CC1
InChIInChI=1S/C25H32O/c1-4-5-19-6-8-20(9-7-19)21-10-12-22(13-11-21)23-14-16-24(17-15-23)25(26)18(2)3/h4,10-20,25-26H,1,5-9H2,2-3H3
InChIKeyVPXYIQFJNIPGAQ-UHFFFAOYSA-N
MW348.53 g/mol
LogP6.89
Rot. Bonds6

About 2-methyl-1-[4-[4-(4-prop-2-enylcyclohexyl)phenyl]phenyl]propan-1-ol

2-methyl-1-[4-[4-(4-prop-2-enylcyclohexyl)phenyl]phenyl]propan-1-ol (PubChem CID 67822720) has the molecular formula C25H32O and a molecular weight of 348.53 g/mol. Its IUPAC name is 2-methyl-1-[4-[4-(4-prop-2-enylcyclohexyl)phenyl]phenyl]propan-1-ol.

Molecular Properties

Compound Name2-methyl-1-[4-[4-(4-prop-2-enylcyclohexyl)phenyl]phenyl]propan-1-ol
PubChem CID67822720
Molecular FormulaC25H32O
Molecular Weight348.53 g/mol
Exact Mass348.25
IUPAC Name2-methyl-1-[4-[4-(4-prop-2-enylcyclohexyl)phenyl]phenyl]propan-1-ol
SMILESC=CCC1CCC(c2ccc(-c3ccc(C(O)C(C)C)cc3)cc2)CC1
InChIInChI=1S/C25H32O/c1-4-5-19-6-8-20(9-7-19)21-10-12-22(13-11-21)23-14-16-24(17-15-23)25(26)18(2)3/h4,10-20,25-26H,1,5-9H2,2-3H3
InChIKeyVPXYIQFJNIPGAQ-UHFFFAOYSA-N
XLogP6.89
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.53
LogP ≤ 56.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[4-[4-(4-prop-2-enylcyclohexyl)phenyl]phenyl]propan-1-ol?
The IUPAC name of 2-methyl-1-[4-[4-(4-prop-2-enylcyclohexyl)phenyl]phenyl]propan-1-ol (CID 67822720) is 2-methyl-1-[4-[4-(4-prop-2-enylcyclohexyl)phenyl]phenyl]propan-1-ol.
What is the SMILES notation for 2-methyl-1-[4-[4-(4-prop-2-enylcyclohexyl)phenyl]phenyl]propan-1-ol?
The canonical SMILES for 2-methyl-1-[4-[4-(4-prop-2-enylcyclohexyl)phenyl]phenyl]propan-1-ol is C=CCC1CCC(c2ccc(-c3ccc(C(O)C(C)C)cc3)cc2)CC1.
What is the InChIKey of 2-methyl-1-[4-[4-(4-prop-2-enylcyclohexyl)phenyl]phenyl]propan-1-ol?
The InChIKey is VPXYIQFJNIPGAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32O/c1-4-5-19-6-8-20(9-7-19)21-10-12-22(13-11-21)23-14-16-24(17-15-23)25(26)18(2)3/h4,10-20,25-26H,1,5-9H2,2-3H3.
What are the key properties of 2-methyl-1-[4-[4-(4-prop-2-enylcyclohexyl)phenyl]phenyl]propan-1-ol?
2-methyl-1-[4-[4-(4-prop-2-enylcyclohexyl)phenyl]phenyl]propan-1-ol has a molecular weight of 348.53 g/mol, XLogP of 6.89, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[4-[4-(4-prop-2-enylcyclohexyl)phenyl]phenyl]propan-1-ol is sourced from PubChem (CID 67822720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).