[4-(1-hydroxy-2-methylpropan-2-yl)oxyphenyl]-phenylmethanone

C17H18O3 — CID 145160096

IUPAC[4-(1-hydroxy-2-methylpropan-2-yl)oxyphenyl]-phenylmethanone
SMILESCC(C)(CO)Oc1ccc(C(=O)c2ccccc2)cc1
InChIInChI=1S/C17H18O3/c1-17(2,12-18)20-15-10-8-14(9-11-15)16(19)13-6-4-3-5-7-13/h3-11,18H,12H2,1-2H3
InChIKeyIBJMMWJVPVXEOG-UHFFFAOYSA-N
MW270.33 g/mol
LogP3.07
Rot. Bonds5

About [4-(1-hydroxy-2-methylpropan-2-yl)oxyphenyl]-phenylmethanone

[4-(1-hydroxy-2-methylpropan-2-yl)oxyphenyl]-phenylmethanone (PubChem CID 145160096) has the molecular formula C17H18O3 and a molecular weight of 270.33 g/mol. Its IUPAC name is [4-(1-hydroxy-2-methylpropan-2-yl)oxyphenyl]-phenylmethanone.

Molecular Properties

Compound Name[4-(1-hydroxy-2-methylpropan-2-yl)oxyphenyl]-phenylmethanone
PubChem CID145160096
Molecular FormulaC17H18O3
Molecular Weight270.33 g/mol
Exact Mass270.13
IUPAC Name[4-(1-hydroxy-2-methylpropan-2-yl)oxyphenyl]-phenylmethanone
SMILESCC(C)(CO)Oc1ccc(C(=O)c2ccccc2)cc1
InChIInChI=1S/C17H18O3/c1-17(2,12-18)20-15-10-8-14(9-11-15)16(19)13-6-4-3-5-7-13/h3-11,18H,12H2,1-2H3
InChIKeyIBJMMWJVPVXEOG-UHFFFAOYSA-N
XLogP3.07
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-[4-[2-[4-[4-[4-[2-(4-benzoylphenoxy)propan-2-yl]phenoxy]benzoyl]phenoxy]propan-2-yl]phenoxy]phenyl]-phenylmethanone
CID 143546093
2,2-dimethylpropane;diphenylmethanone
CID 159191976
4-(4-benzoylphenoxy)-4-methylpent-1-en-3-one
CID 141463352
4-(1-hydroxy-2-methylpropan-2-yl)oxyphenol
CID 67201302
[4-[4-(4-benzoylphenoxy)phenoxy]phenyl]-phenylmethanone
CID 14669951
(4-benzoylphenyl) 2-bromo-2-methylpropanoate
CID 59741508
[4-[4-[2-[4-(4-benzoylphenoxy)phenyl]propan-2-yl]phenoxy]phenyl]-phenylmethanone
CID 70475696
4-(1-amino-2-methylpropan-2-yl)oxybenzoic acid
CID 117053492
(4-phenylphenyl) 4-(2-methylbutan-2-yloxy)benzoate
CID 145451128
(4-benzoylphenyl)-phenylmethanone;ethane;methoxymethane
CID 91498275
4-(4-hydroxy-2,4-dimethylpentan-2-yl)oxybenzoic acid
CID 143021723
tert-butyl 4-benzoylbenzenecarboperoxoate
CID 13494638

Frequently Asked Questions

What is the IUPAC name of [4-(1-hydroxy-2-methylpropan-2-yl)oxyphenyl]-phenylmethanone?
The IUPAC name of [4-(1-hydroxy-2-methylpropan-2-yl)oxyphenyl]-phenylmethanone (CID 145160096) is [4-(1-hydroxy-2-methylpropan-2-yl)oxyphenyl]-phenylmethanone.
What is the SMILES notation for [4-(1-hydroxy-2-methylpropan-2-yl)oxyphenyl]-phenylmethanone?
The canonical SMILES for [4-(1-hydroxy-2-methylpropan-2-yl)oxyphenyl]-phenylmethanone is CC(C)(CO)Oc1ccc(C(=O)c2ccccc2)cc1.
What is the InChIKey of [4-(1-hydroxy-2-methylpropan-2-yl)oxyphenyl]-phenylmethanone?
The InChIKey is IBJMMWJVPVXEOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O3/c1-17(2,12-18)20-15-10-8-14(9-11-15)16(19)13-6-4-3-5-7-13/h3-11,18H,12H2,1-2H3.
What are the key properties of [4-(1-hydroxy-2-methylpropan-2-yl)oxyphenyl]-phenylmethanone?
[4-(1-hydroxy-2-methylpropan-2-yl)oxyphenyl]-phenylmethanone has a molecular weight of 270.33 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-hydroxy-2-methylpropan-2-yl)oxyphenyl]-phenylmethanone is sourced from PubChem (CID 145160096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).