2-hydroxy-1-[4-[(4-methylphenyl)methoxy]phenyl]ethanone

C16H16O3 — CID 170162201

IUPAC2-hydroxy-1-[4-[(4-methylphenyl)methoxy]phenyl]ethanone
SMILESCc1ccc(COc2ccc(C(=O)CO)cc2)cc1
InChIInChI=1S/C16H16O3/c1-12-2-4-13(5-3-12)11-19-15-8-6-14(7-9-15)16(18)10-17/h2-9,17H,10-11H2,1H3
InChIKeyBDMQKWIDTJPPHR-UHFFFAOYSA-N
MW256.30 g/mol
LogP2.75
Rot. Bonds5

About 2-hydroxy-1-[4-[(4-methylphenyl)methoxy]phenyl]ethanone

2-hydroxy-1-[4-[(4-methylphenyl)methoxy]phenyl]ethanone (PubChem CID 170162201) has the molecular formula C16H16O3 and a molecular weight of 256.30 g/mol. Its IUPAC name is 2-hydroxy-1-[4-[(4-methylphenyl)methoxy]phenyl]ethanone.

Molecular Properties

Compound Name2-hydroxy-1-[4-[(4-methylphenyl)methoxy]phenyl]ethanone
PubChem CID170162201
Molecular FormulaC16H16O3
Molecular Weight256.30 g/mol
Exact Mass256.11
IUPAC Name2-hydroxy-1-[4-[(4-methylphenyl)methoxy]phenyl]ethanone
SMILESCc1ccc(COc2ccc(C(=O)CO)cc2)cc1
InChIInChI=1S/C16H16O3/c1-12-2-4-13(5-3-12)11-19-15-8-6-14(7-9-15)16(18)10-17/h2-9,17H,10-11H2,1H3
InChIKeyBDMQKWIDTJPPHR-UHFFFAOYSA-N
XLogP2.75
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-4-[[4-[(4-methylphenoxy)methyl]phenoxy]methyl]benzene
CID 59641480
N,N-dimethyl-4-[(4-methylphenoxy)methyl]benzamide
CID 86978503
(4-methylphenyl)-(4-phenylmethoxyphenyl)methanone
CID 58133168
1-[4-[[4-[(4-acetylphenoxy)methyl]phenyl]methoxy]phenyl]ethanone
CID 10619405
(4-methylphenyl)-[4-(4-phenylmethoxyphenoxy)phenyl]methanone
CID 58133171
[4-[(4-methylphenyl)methoxy]phenyl]methyl (2R)-2-aminopropanoate
CID 176827947
1-[4-[[4-(aminomethyl)phenyl]methoxy]phenyl]propan-1-one
CID 82147468
[4-(4-methoxybenzoyl)piperazin-1-yl]-[4-[(4-methylphenoxy)methyl]phenyl]methanone
CID 87055955
[4-[4-[4-[(4-methylphenoxy)methyl]benzoyl]anilino]phenyl]-phenylmethanone
CID 58819189
methyl 4-[(4-propanoylphenoxy)methyl]benzoate
CID 877977
1-(4-butoxyphenyl)-2-(4-methylphenyl)ethanone
CID 63527517
1-[4-[(4-methoxyphenyl)methoxy]phenyl]butan-1-one
CID 134129695

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-1-[4-[(4-methylphenyl)methoxy]phenyl]ethanone?
The IUPAC name of 2-hydroxy-1-[4-[(4-methylphenyl)methoxy]phenyl]ethanone (CID 170162201) is 2-hydroxy-1-[4-[(4-methylphenyl)methoxy]phenyl]ethanone.
What is the SMILES notation for 2-hydroxy-1-[4-[(4-methylphenyl)methoxy]phenyl]ethanone?
The canonical SMILES for 2-hydroxy-1-[4-[(4-methylphenyl)methoxy]phenyl]ethanone is Cc1ccc(COc2ccc(C(=O)CO)cc2)cc1.
What is the InChIKey of 2-hydroxy-1-[4-[(4-methylphenyl)methoxy]phenyl]ethanone?
The InChIKey is BDMQKWIDTJPPHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O3/c1-12-2-4-13(5-3-12)11-19-15-8-6-14(7-9-15)16(18)10-17/h2-9,17H,10-11H2,1H3.
What are the key properties of 2-hydroxy-1-[4-[(4-methylphenyl)methoxy]phenyl]ethanone?
2-hydroxy-1-[4-[(4-methylphenyl)methoxy]phenyl]ethanone has a molecular weight of 256.30 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-1-[4-[(4-methylphenyl)methoxy]phenyl]ethanone is sourced from PubChem (CID 170162201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).