(2,5-dihydroxy-4-methoxyphenyl)-phenylmethanone

C14H12O4 — CID 3938139

IUPAC(2,5-dihydroxy-4-methoxyphenyl)-phenylmethanone
SMILESCOc1cc(O)c(C(=O)c2ccccc2)cc1O
InChIInChI=1S/C14H12O4/c1-18-13-8-11(15)10(7-12(13)16)14(17)9-5-3-2-4-6-9/h2-8,15-16H,1H3
InChIKeyNFJVELXCUBWAFL-UHFFFAOYSA-N
MW244.25 g/mol
LogP2.34
Rot. Bonds3

About (2,5-dihydroxy-4-methoxyphenyl)-phenylmethanone

(2,5-dihydroxy-4-methoxyphenyl)-phenylmethanone (PubChem CID 3938139) has the molecular formula C14H12O4 and a molecular weight of 244.25 g/mol. Its IUPAC name is (2,5-dihydroxy-4-methoxyphenyl)-phenylmethanone.

Molecular Properties

Compound Name(2,5-dihydroxy-4-methoxyphenyl)-phenylmethanone
PubChem CID3938139
Molecular FormulaC14H12O4
Molecular Weight244.25 g/mol
Exact Mass244.07
IUPAC Name(2,5-dihydroxy-4-methoxyphenyl)-phenylmethanone
SMILESCOc1cc(O)c(C(=O)c2ccccc2)cc1O
InChIInChI=1S/C14H12O4/c1-18-13-8-11(15)10(7-12(13)16)14(17)9-5-3-2-4-6-9/h2-8,15-16H,1H3
InChIKeyNFJVELXCUBWAFL-UHFFFAOYSA-N
XLogP2.34
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2,5-dihydroxy-4-methoxyphenyl)-phenylmethanone?
The IUPAC name of (2,5-dihydroxy-4-methoxyphenyl)-phenylmethanone (CID 3938139) is (2,5-dihydroxy-4-methoxyphenyl)-phenylmethanone.
What is the SMILES notation for (2,5-dihydroxy-4-methoxyphenyl)-phenylmethanone?
The canonical SMILES for (2,5-dihydroxy-4-methoxyphenyl)-phenylmethanone is COc1cc(O)c(C(=O)c2ccccc2)cc1O.
What is the InChIKey of (2,5-dihydroxy-4-methoxyphenyl)-phenylmethanone?
The InChIKey is NFJVELXCUBWAFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O4/c1-18-13-8-11(15)10(7-12(13)16)14(17)9-5-3-2-4-6-9/h2-8,15-16H,1H3.
What are the key properties of (2,5-dihydroxy-4-methoxyphenyl)-phenylmethanone?
(2,5-dihydroxy-4-methoxyphenyl)-phenylmethanone has a molecular weight of 244.25 g/mol, XLogP of 2.34, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dihydroxy-4-methoxyphenyl)-phenylmethanone is sourced from PubChem (CID 3938139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).