(S)-[2-(2-methylpropyl)phenyl]-phenylmethanol

C17H20O — CID 125467044

IUPAC(S)-[2-(2-methylpropyl)phenyl]-phenylmethanol
SMILESCC(C)Cc1ccccc1[C@@H](O)c1ccccc1
InChIInChI=1S/C17H20O/c1-13(2)12-15-10-6-7-11-16(15)17(18)14-8-4-3-5-9-14/h3-11,13,17-18H,12H2,1-2H3/t17-/m0/s1
InChIKeyVUEZIWKVDCROFN-KRWDZBQOSA-N
MW240.35 g/mol
LogP3.97
Rot. Bonds4

About (S)-[2-(2-methylpropyl)phenyl]-phenylmethanol

(S)-[2-(2-methylpropyl)phenyl]-phenylmethanol (PubChem CID 125467044) has the molecular formula C17H20O and a molecular weight of 240.35 g/mol. Its IUPAC name is (S)-[2-(2-methylpropyl)phenyl]-phenylmethanol.

Molecular Properties

Compound Name(S)-[2-(2-methylpropyl)phenyl]-phenylmethanol
PubChem CID125467044
Molecular FormulaC17H20O
Molecular Weight240.35 g/mol
Exact Mass240.15
IUPAC Name(S)-[2-(2-methylpropyl)phenyl]-phenylmethanol
SMILESCC(C)Cc1ccccc1[C@@H](O)c1ccccc1
InChIInChI=1S/C17H20O/c1-13(2)12-15-10-6-7-11-16(15)17(18)14-8-4-3-5-9-14/h3-11,13,17-18H,12H2,1-2H3/t17-/m0/s1
InChIKeyVUEZIWKVDCROFN-KRWDZBQOSA-N
XLogP3.97
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (S)-[2-(2-methylpropyl)phenyl]-phenylmethanol?
The IUPAC name of (S)-[2-(2-methylpropyl)phenyl]-phenylmethanol (CID 125467044) is (S)-[2-(2-methylpropyl)phenyl]-phenylmethanol.
What is the SMILES notation for (S)-[2-(2-methylpropyl)phenyl]-phenylmethanol?
The canonical SMILES for (S)-[2-(2-methylpropyl)phenyl]-phenylmethanol is CC(C)Cc1ccccc1[C@@H](O)c1ccccc1.
What is the InChIKey of (S)-[2-(2-methylpropyl)phenyl]-phenylmethanol?
The InChIKey is VUEZIWKVDCROFN-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H20O/c1-13(2)12-15-10-6-7-11-16(15)17(18)14-8-4-3-5-9-14/h3-11,13,17-18H,12H2,1-2H3/t17-/m0/s1.
What are the key properties of (S)-[2-(2-methylpropyl)phenyl]-phenylmethanol?
(S)-[2-(2-methylpropyl)phenyl]-phenylmethanol has a molecular weight of 240.35 g/mol, XLogP of 3.97, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-[2-(2-methylpropyl)phenyl]-phenylmethanol is sourced from PubChem (CID 125467044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).