(5-tert-butyl-2-hydroxyphenyl)-phenylmethanone

C17H18O2 — CID 517837

IUPAC(5-tert-butyl-2-hydroxyphenyl)-phenylmethanone
SMILESCC(C)(C)c1ccc(O)c(C(=O)c2ccccc2)c1
InChIInChI=1S/C17H18O2/c1-17(2,3)13-9-10-15(18)14(11-13)16(19)12-7-5-4-6-8-12/h4-11,18H,1-3H3
InChIKeyIAAWULFRQOKLJI-UHFFFAOYSA-N
MW254.33 g/mol
LogP3.92
Rot. Bonds2

About (5-tert-butyl-2-hydroxyphenyl)-phenylmethanone

(5-tert-butyl-2-hydroxyphenyl)-phenylmethanone (PubChem CID 517837) has the molecular formula C17H18O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is (5-tert-butyl-2-hydroxyphenyl)-phenylmethanone.

Molecular Properties

Compound Name(5-tert-butyl-2-hydroxyphenyl)-phenylmethanone
PubChem CID517837
Molecular FormulaC17H18O2
Molecular Weight254.33 g/mol
Exact Mass254.13
IUPAC Name(5-tert-butyl-2-hydroxyphenyl)-phenylmethanone
SMILESCC(C)(C)c1ccc(O)c(C(=O)c2ccccc2)c1
InChIInChI=1S/C17H18O2/c1-17(2,3)13-9-10-15(18)14(11-13)16(19)12-7-5-4-6-8-12/h4-11,18H,1-3H3
InChIKeyIAAWULFRQOKLJI-UHFFFAOYSA-N
XLogP3.92
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-benzoyl-4-tert-butylbenzoic acid
CID 3106283
2-(5-tert-butyl-2-hydroxyphenyl)-2-oxoacetic acid
CID 117317802
(5-tert-butyl-2-hydroxyphenyl)-(1H-pyrazol-4-yl)methanone
CID 57371109
(5-ethyl-2-hydroxyphenyl)-phenylmethanone
CID 13149653
4-tert-butyl-2-(4-carboxybenzoyl)benzoic acid
CID 919103
4-tert-butyl-2-[1,2,2-tris(5-tert-butyl-2-hydroxyphenyl)ethenyl]phenol
CID 90829503
[2-hydroxy-5-(4-hydroxyphenyl)phenyl]-phenylmethanone
CID 15262738
(2-benzoyl-4-tert-butylphenyl) prop-2-enoate
CID 141437960
N-(2-benzoyl-4-tert-butyl-6-methylphenyl)benzamide
CID 175508225
[5-tert-butyl-2-[2-(dimethylamino)cyclopenta-2,4-dien-1-yl]phenyl]-phenylmethanone
CID 154426517
[5-tert-butyl-2-(2,3,4-trimethylcyclopenta-2,4-dien-1-yl)phenyl]-phenylmethanone
CID 154426512
2-(3-benzoyl-4-hydroxyphenyl)acetic acid
CID 91883998

Frequently Asked Questions

What is the IUPAC name of (5-tert-butyl-2-hydroxyphenyl)-phenylmethanone?
The IUPAC name of (5-tert-butyl-2-hydroxyphenyl)-phenylmethanone (CID 517837) is (5-tert-butyl-2-hydroxyphenyl)-phenylmethanone.
What is the SMILES notation for (5-tert-butyl-2-hydroxyphenyl)-phenylmethanone?
The canonical SMILES for (5-tert-butyl-2-hydroxyphenyl)-phenylmethanone is CC(C)(C)c1ccc(O)c(C(=O)c2ccccc2)c1.
What is the InChIKey of (5-tert-butyl-2-hydroxyphenyl)-phenylmethanone?
The InChIKey is IAAWULFRQOKLJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O2/c1-17(2,3)13-9-10-15(18)14(11-13)16(19)12-7-5-4-6-8-12/h4-11,18H,1-3H3.
What are the key properties of (5-tert-butyl-2-hydroxyphenyl)-phenylmethanone?
(5-tert-butyl-2-hydroxyphenyl)-phenylmethanone has a molecular weight of 254.33 g/mol, XLogP of 3.92, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-tert-butyl-2-hydroxyphenyl)-phenylmethanone is sourced from PubChem (CID 517837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).