(3-chloro-4-hydroxyphenyl)-(2,4-dihydroxy-3-methylphenyl)methanone

C14H11ClO4 — CID 130193126

IUPAC(3-chloro-4-hydroxyphenyl)-(2,4-dihydroxy-3-methylphenyl)methanone
SMILESCc1c(O)ccc(C(=O)c2ccc(O)c(Cl)c2)c1O
InChIInChI=1S/C14H11ClO4/c1-7-11(16)5-3-9(13(7)18)14(19)8-2-4-12(17)10(15)6-8/h2-6,16-18H,1H3
InChIKeyBMJSOEMINBSZCP-UHFFFAOYSA-N
MW278.69 g/mol
LogP3.00
Rot. Bonds2

About (3-chloro-4-hydroxyphenyl)-(2,4-dihydroxy-3-methylphenyl)methanone

(3-chloro-4-hydroxyphenyl)-(2,4-dihydroxy-3-methylphenyl)methanone (PubChem CID 130193126) has the molecular formula C14H11ClO4 and a molecular weight of 278.69 g/mol. Its IUPAC name is (3-chloro-4-hydroxyphenyl)-(2,4-dihydroxy-3-methylphenyl)methanone.

Molecular Properties

Compound Name(3-chloro-4-hydroxyphenyl)-(2,4-dihydroxy-3-methylphenyl)methanone
PubChem CID130193126
Molecular FormulaC14H11ClO4
Molecular Weight278.69 g/mol
Exact Mass278.03
IUPAC Name(3-chloro-4-hydroxyphenyl)-(2,4-dihydroxy-3-methylphenyl)methanone
SMILESCc1c(O)ccc(C(=O)c2ccc(O)c(Cl)c2)c1O
InChIInChI=1S/C14H11ClO4/c1-7-11(16)5-3-9(13(7)18)14(19)8-2-4-12(17)10(15)6-8/h2-6,16-18H,1H3
InChIKeyBMJSOEMINBSZCP-UHFFFAOYSA-N
XLogP3.00
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.69
LogP ≤ 53.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-chloro-4-hydroxyphenyl)-(2,4-dihydroxy-3-methylphenyl)methanone?
The IUPAC name of (3-chloro-4-hydroxyphenyl)-(2,4-dihydroxy-3-methylphenyl)methanone (CID 130193126) is (3-chloro-4-hydroxyphenyl)-(2,4-dihydroxy-3-methylphenyl)methanone.
What is the SMILES notation for (3-chloro-4-hydroxyphenyl)-(2,4-dihydroxy-3-methylphenyl)methanone?
The canonical SMILES for (3-chloro-4-hydroxyphenyl)-(2,4-dihydroxy-3-methylphenyl)methanone is Cc1c(O)ccc(C(=O)c2ccc(O)c(Cl)c2)c1O.
What is the InChIKey of (3-chloro-4-hydroxyphenyl)-(2,4-dihydroxy-3-methylphenyl)methanone?
The InChIKey is BMJSOEMINBSZCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClO4/c1-7-11(16)5-3-9(13(7)18)14(19)8-2-4-12(17)10(15)6-8/h2-6,16-18H,1H3.
What are the key properties of (3-chloro-4-hydroxyphenyl)-(2,4-dihydroxy-3-methylphenyl)methanone?
(3-chloro-4-hydroxyphenyl)-(2,4-dihydroxy-3-methylphenyl)methanone has a molecular weight of 278.69 g/mol, XLogP of 3.00, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-4-hydroxyphenyl)-(2,4-dihydroxy-3-methylphenyl)methanone is sourced from PubChem (CID 130193126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).