(3-hydroxy-4-methoxyphenyl)-(2-hydroxyphenyl)methanone

C14H12O4 — CID 59116114

IUPAC(3-hydroxy-4-methoxyphenyl)-(2-hydroxyphenyl)methanone
SMILESCOc1ccc(C(=O)c2ccccc2O)cc1O
InChIInChI=1S/C14H12O4/c1-18-13-7-6-9(8-12(13)16)14(17)10-4-2-3-5-11(10)15/h2-8,15-16H,1H3
InChIKeyKRVNLBZJBHBUKZ-UHFFFAOYSA-N
MW244.25 g/mol
LogP2.34
Rot. Bonds3

About (3-hydroxy-4-methoxyphenyl)-(2-hydroxyphenyl)methanone

(3-hydroxy-4-methoxyphenyl)-(2-hydroxyphenyl)methanone (PubChem CID 59116114) has the molecular formula C14H12O4 and a molecular weight of 244.25 g/mol. Its IUPAC name is (3-hydroxy-4-methoxyphenyl)-(2-hydroxyphenyl)methanone.

Molecular Properties

Compound Name(3-hydroxy-4-methoxyphenyl)-(2-hydroxyphenyl)methanone
PubChem CID59116114
Molecular FormulaC14H12O4
Molecular Weight244.25 g/mol
Exact Mass244.07
IUPAC Name(3-hydroxy-4-methoxyphenyl)-(2-hydroxyphenyl)methanone
SMILESCOc1ccc(C(=O)c2ccccc2O)cc1O
InChIInChI=1S/C14H12O4/c1-18-13-7-6-9(8-12(13)16)14(17)10-4-2-3-5-11(10)15/h2-8,15-16H,1H3
InChIKeyKRVNLBZJBHBUKZ-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

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Related Compounds

3-hydroxy-4-methoxybenzoic acid
CID 12575
(2-chlorophenyl)-(4-hydroxy-3-methoxyphenyl)methanone
CID 21459016
2-benzofuran-1,3-dione;formaldehyde;[5-(2-hydroxybenzoyl)-2-methoxyphenyl] methanesulfonate;(3-hydroxy-4-methoxyphenyl)-(2-hydroxyphenyl)methanone;(2-methoxyphenyl) methanesulfonate;trichloroalumane
CID 159068805
1-[2-(3,4-dimethoxybenzoyl)phenyl]ethanone
CID 102341182
(3-ethoxy-4-methoxyphenyl)-(3-hydroxy-4-methoxyphenyl)methanone
CID 69205784
3-hydroxy-4-methoxybenzoic acid;molecular hydrogen
CID 50930804
(3,4-dimethylphenyl)-(2-methoxyphenyl)methanone
CID 24722768
ethane;(2-hydroxyphenyl)-phenylmethanone;methoxymethane
CID 91515590
3-hydroxy-4-methoxy-N-methyl-N-phenylbenzamide
CID 79725609
(2-bromophenyl)-(4-methoxy-3-methylphenyl)methanone
CID 43379600
3-hydroxy-4-methoxy-N-(2-methoxyphenyl)benzamide
CID 79600198
2-chloro-1-(3-hydroxy-4-methoxyphenyl)ethanone
CID 15110269

Frequently Asked Questions

What is the IUPAC name of (3-hydroxy-4-methoxyphenyl)-(2-hydroxyphenyl)methanone?
The IUPAC name of (3-hydroxy-4-methoxyphenyl)-(2-hydroxyphenyl)methanone (CID 59116114) is (3-hydroxy-4-methoxyphenyl)-(2-hydroxyphenyl)methanone.
What is the SMILES notation for (3-hydroxy-4-methoxyphenyl)-(2-hydroxyphenyl)methanone?
The canonical SMILES for (3-hydroxy-4-methoxyphenyl)-(2-hydroxyphenyl)methanone is COc1ccc(C(=O)c2ccccc2O)cc1O.
What is the InChIKey of (3-hydroxy-4-methoxyphenyl)-(2-hydroxyphenyl)methanone?
The InChIKey is KRVNLBZJBHBUKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O4/c1-18-13-7-6-9(8-12(13)16)14(17)10-4-2-3-5-11(10)15/h2-8,15-16H,1H3.
What are the key properties of (3-hydroxy-4-methoxyphenyl)-(2-hydroxyphenyl)methanone?
(3-hydroxy-4-methoxyphenyl)-(2-hydroxyphenyl)methanone 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 (3-hydroxy-4-methoxyphenyl)-(2-hydroxyphenyl)methanone is sourced from PubChem (CID 59116114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).