2-[1-(2-cyclopropylphenyl)-2-phenylethyl]-3-methylpentan-1-ol

C23H30O — CID 173254058

IUPAC2-[1-(2-cyclopropylphenyl)-2-phenylethyl]-3-methylpentan-1-ol
SMILESCCC(C)C(CO)C(Cc1ccccc1)c1ccccc1C1CC1
InChIInChI=1S/C23H30O/c1-3-17(2)23(16-24)22(15-18-9-5-4-6-10-18)21-12-8-7-11-20(21)19-13-14-19/h4-12,17,19,22-24H,3,13-16H2,1-2H3
InChIKeyHVCRCJXBJQQUSM-UHFFFAOYSA-N
MW322.49 g/mol
LogP5.54
Rot. Bonds8

About 2-[1-(2-cyclopropylphenyl)-2-phenylethyl]-3-methylpentan-1-ol

2-[1-(2-cyclopropylphenyl)-2-phenylethyl]-3-methylpentan-1-ol (PubChem CID 173254058) has the molecular formula C23H30O and a molecular weight of 322.49 g/mol. Its IUPAC name is 2-[1-(2-cyclopropylphenyl)-2-phenylethyl]-3-methylpentan-1-ol.

Molecular Properties

Compound Name2-[1-(2-cyclopropylphenyl)-2-phenylethyl]-3-methylpentan-1-ol
PubChem CID173254058
Molecular FormulaC23H30O
Molecular Weight322.49 g/mol
Exact Mass322.23
IUPAC Name2-[1-(2-cyclopropylphenyl)-2-phenylethyl]-3-methylpentan-1-ol
SMILESCCC(C)C(CO)C(Cc1ccccc1)c1ccccc1C1CC1
InChIInChI=1S/C23H30O/c1-3-17(2)23(16-24)22(15-18-9-5-4-6-10-18)21-12-8-7-11-20(21)19-13-14-19/h4-12,17,19,22-24H,3,13-16H2,1-2H3
InChIKeyHVCRCJXBJQQUSM-UHFFFAOYSA-N
XLogP5.54
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.49
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-cyclopropylphenyl)-2-phenylethyl]-3-methylpentan-1-ol?
The IUPAC name of 2-[1-(2-cyclopropylphenyl)-2-phenylethyl]-3-methylpentan-1-ol (CID 173254058) is 2-[1-(2-cyclopropylphenyl)-2-phenylethyl]-3-methylpentan-1-ol.
What is the SMILES notation for 2-[1-(2-cyclopropylphenyl)-2-phenylethyl]-3-methylpentan-1-ol?
The canonical SMILES for 2-[1-(2-cyclopropylphenyl)-2-phenylethyl]-3-methylpentan-1-ol is CCC(C)C(CO)C(Cc1ccccc1)c1ccccc1C1CC1.
What is the InChIKey of 2-[1-(2-cyclopropylphenyl)-2-phenylethyl]-3-methylpentan-1-ol?
The InChIKey is HVCRCJXBJQQUSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30O/c1-3-17(2)23(16-24)22(15-18-9-5-4-6-10-18)21-12-8-7-11-20(21)19-13-14-19/h4-12,17,19,22-24H,3,13-16H2,1-2H3.
What are the key properties of 2-[1-(2-cyclopropylphenyl)-2-phenylethyl]-3-methylpentan-1-ol?
2-[1-(2-cyclopropylphenyl)-2-phenylethyl]-3-methylpentan-1-ol has a molecular weight of 322.49 g/mol, XLogP of 5.54, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-cyclopropylphenyl)-2-phenylethyl]-3-methylpentan-1-ol is sourced from PubChem (CID 173254058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).