[2-hydroxy-4-(2-methoxyethyl)phenyl]-phenylmethanone

C16H16O3 — CID 175588914

IUPAC[2-hydroxy-4-(2-methoxyethyl)phenyl]-phenylmethanone
SMILESCOCCc1ccc(C(=O)c2ccccc2)c(O)c1
InChIInChI=1S/C16H16O3/c1-19-10-9-12-7-8-14(15(17)11-12)16(18)13-5-3-2-4-6-13/h2-8,11,17H,9-10H2,1H3
InChIKeyJBHWJJMIKRGTAH-UHFFFAOYSA-N
MW256.30 g/mol
LogP2.81
Rot. Bonds5

About [2-hydroxy-4-(2-methoxyethyl)phenyl]-phenylmethanone

[2-hydroxy-4-(2-methoxyethyl)phenyl]-phenylmethanone (PubChem CID 175588914) has the molecular formula C16H16O3 and a molecular weight of 256.30 g/mol. Its IUPAC name is [2-hydroxy-4-(2-methoxyethyl)phenyl]-phenylmethanone.

Molecular Properties

Compound Name[2-hydroxy-4-(2-methoxyethyl)phenyl]-phenylmethanone
PubChem CID175588914
Molecular FormulaC16H16O3
Molecular Weight256.30 g/mol
Exact Mass256.11
IUPAC Name[2-hydroxy-4-(2-methoxyethyl)phenyl]-phenylmethanone
SMILESCOCCc1ccc(C(=O)c2ccccc2)c(O)c1
InChIInChI=1S/C16H16O3/c1-19-10-9-12-7-8-14(15(17)11-12)16(18)13-5-3-2-4-6-13/h2-8,11,17H,9-10H2,1H3
InChIKeyJBHWJJMIKRGTAH-UHFFFAOYSA-N
XLogP2.81
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 ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(4-butoxybutyl)-2-hydroxyphenyl]-phenylmethanone
CID 58352220
[3-(2-methoxyethyl)phenyl]-phenylmethanone
CID 91307514
(4-hexyl-2-hydroxyphenyl)-phenylmethanone
CID 139676906
(4-benzyl-2-hydroxyphenyl)-phenylmethanone
CID 135369978
[2-hydroxy-4-(2-hydroxypropyl)phenyl]-phenylmethanone
CID 70252178
methyl 4-benzoyl-3-hydroxybenzoate
CID 132545644
CID 175499515
CID 175499515
CID 172864174
CID 172864174
(4-hydroperoxy-2-hydroxyphenyl)-phenylmethanone
CID 88685403
[4-[4-(4-amino-3-hydroxyphenyl)butoxy]-2-hydroxyphenyl]-phenylmethanone;benzene-1,2-diamine
CID 143289929
(4-butyl-2-hydroxyphenyl)-phenylmethanone;(2-methylphenyl)carbamic acid
CID 18006890
ethane;(2-hydroxyphenyl)-phenylmethanone;methoxymethane
CID 91515590

Frequently Asked Questions

What is the IUPAC name of [2-hydroxy-4-(2-methoxyethyl)phenyl]-phenylmethanone?
The IUPAC name of [2-hydroxy-4-(2-methoxyethyl)phenyl]-phenylmethanone (CID 175588914) is [2-hydroxy-4-(2-methoxyethyl)phenyl]-phenylmethanone.
What is the SMILES notation for [2-hydroxy-4-(2-methoxyethyl)phenyl]-phenylmethanone?
The canonical SMILES for [2-hydroxy-4-(2-methoxyethyl)phenyl]-phenylmethanone is COCCc1ccc(C(=O)c2ccccc2)c(O)c1.
What is the InChIKey of [2-hydroxy-4-(2-methoxyethyl)phenyl]-phenylmethanone?
The InChIKey is JBHWJJMIKRGTAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O3/c1-19-10-9-12-7-8-14(15(17)11-12)16(18)13-5-3-2-4-6-13/h2-8,11,17H,9-10H2,1H3.
What are the key properties of [2-hydroxy-4-(2-methoxyethyl)phenyl]-phenylmethanone?
[2-hydroxy-4-(2-methoxyethyl)phenyl]-phenylmethanone has a molecular weight of 256.30 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-hydroxy-4-(2-methoxyethyl)phenyl]-phenylmethanone is sourced from PubChem (CID 175588914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).