[4-hydroxy-3,5-di(propan-2-yl)phenyl]-phenylmethanone

C19H22O2 — CID 10588978

IUPAC[4-hydroxy-3,5-di(propan-2-yl)phenyl]-phenylmethanone
SMILESCC(C)c1cc(C(=O)c2ccccc2)cc(C(C)C)c1O
InChIInChI=1S/C19H22O2/c1-12(2)16-10-15(11-17(13(3)4)19(16)21)18(20)14-8-6-5-7-9-14/h5-13,21H,1-4H3
InChIKeyRCAFIHRSMRKZLG-UHFFFAOYSA-N
MW282.38 g/mol
LogP4.87
Rot. Bonds4

About [4-hydroxy-3,5-di(propan-2-yl)phenyl]-phenylmethanone

[4-hydroxy-3,5-di(propan-2-yl)phenyl]-phenylmethanone (PubChem CID 10588978) has the molecular formula C19H22O2 and a molecular weight of 282.38 g/mol. Its IUPAC name is [4-hydroxy-3,5-di(propan-2-yl)phenyl]-phenylmethanone.

Molecular Properties

Compound Name[4-hydroxy-3,5-di(propan-2-yl)phenyl]-phenylmethanone
PubChem CID10588978
Molecular FormulaC19H22O2
Molecular Weight282.38 g/mol
Exact Mass282.16
IUPAC Name[4-hydroxy-3,5-di(propan-2-yl)phenyl]-phenylmethanone
SMILESCC(C)c1cc(C(=O)c2ccccc2)cc(C(C)C)c1O
InChIInChI=1S/C19H22O2/c1-12(2)16-10-15(11-17(13(3)4)19(16)21)18(20)14-8-6-5-7-9-14/h5-13,21H,1-4H3
InChIKeyRCAFIHRSMRKZLG-UHFFFAOYSA-N
XLogP4.87
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [4-hydroxy-3,5-di(propan-2-yl)phenyl]-phenylmethanone?
The IUPAC name of [4-hydroxy-3,5-di(propan-2-yl)phenyl]-phenylmethanone (CID 10588978) is [4-hydroxy-3,5-di(propan-2-yl)phenyl]-phenylmethanone.
What is the SMILES notation for [4-hydroxy-3,5-di(propan-2-yl)phenyl]-phenylmethanone?
The canonical SMILES for [4-hydroxy-3,5-di(propan-2-yl)phenyl]-phenylmethanone is CC(C)c1cc(C(=O)c2ccccc2)cc(C(C)C)c1O.
What is the InChIKey of [4-hydroxy-3,5-di(propan-2-yl)phenyl]-phenylmethanone?
The InChIKey is RCAFIHRSMRKZLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O2/c1-12(2)16-10-15(11-17(13(3)4)19(16)21)18(20)14-8-6-5-7-9-14/h5-13,21H,1-4H3.
What are the key properties of [4-hydroxy-3,5-di(propan-2-yl)phenyl]-phenylmethanone?
[4-hydroxy-3,5-di(propan-2-yl)phenyl]-phenylmethanone has a molecular weight of 282.38 g/mol, XLogP of 4.87, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-hydroxy-3,5-di(propan-2-yl)phenyl]-phenylmethanone is sourced from PubChem (CID 10588978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).