bis[4-chloro-2-(dihydroxymethyl)phenyl]methanone

C15H12Cl2O5 — CID 139604109

IUPACbis[4-chloro-2-(dihydroxymethyl)phenyl]methanone
SMILESO=C(c1ccc(Cl)cc1C(O)O)c1ccc(Cl)cc1C(O)O
InChIInChI=1S/C15H12Cl2O5/c16-7-1-3-9(11(5-7)14(19)20)13(18)10-4-2-8(17)6-12(10)15(21)22/h1-6,14-15,19-22H
InChIKeyDTJFWALFCGUQOU-UHFFFAOYSA-N
MW343.16 g/mol
LogP2.19
Rot. Bonds4

About bis[4-chloro-2-(dihydroxymethyl)phenyl]methanone

bis[4-chloro-2-(dihydroxymethyl)phenyl]methanone (PubChem CID 139604109) has the molecular formula C15H12Cl2O5 and a molecular weight of 343.16 g/mol. Its IUPAC name is bis[4-chloro-2-(dihydroxymethyl)phenyl]methanone.

Molecular Properties

Compound Namebis[4-chloro-2-(dihydroxymethyl)phenyl]methanone
PubChem CID139604109
Molecular FormulaC15H12Cl2O5
Molecular Weight343.16 g/mol
Exact Mass342.01
IUPAC Namebis[4-chloro-2-(dihydroxymethyl)phenyl]methanone
SMILESO=C(c1ccc(Cl)cc1C(O)O)c1ccc(Cl)cc1C(O)O
InChIInChI=1S/C15H12Cl2O5/c16-7-1-3-9(11(5-7)14(19)20)13(18)10-4-2-8(17)6-12(10)15(21)22/h1-6,14-15,19-22H
InChIKeyDTJFWALFCGUQOU-UHFFFAOYSA-N
XLogP2.19
TPSA97.99 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.16
LogP ≤ 52.19
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze bis[4-chloro-2-(dihydroxymethyl)phenyl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5-chloro-2-methylsulfanylphenyl)methanediol
CID 90940010
bis(2-amino-4-chlorophenyl)methanone
CID 15130044
(2,4-dichlorophenyl)-(2,5-dichlorophenyl)methanone
CID 43344575
4-chloro-2-(3-chloro-1,2-dihydroxypropyl)benzoic acid
CID 171862312
3-(5-chloro-2-hydroxyphenyl)-2,3-dihydroxypropanamide
CID 171867764
bis(4-chloro-2-nitrophenyl)methanone
CID 13462792
bis((2R)-2-(4-chloro-2-fluorophenyl)-2-hydroxyacetic acid);bis((2S)-2-(4-chloro-2-fluorophenyl)-2-hydroxyacetic acid)
CID 139124387
[4-chloro-2-(difluoromethyl)phenyl]-pyridin-3-ylmethanone
CID 134622134
2-(5-chloro-2-hydrazinylphenyl)-2-hydroxyacetic acid
CID 130779254
2-(2-amino-4-chlorophenyl)-2-hydroxyacetic acid
CID 119022800
2-[(2-carbonochloridoyl-5-chlorophenyl)disulfanyl]-4-chlorobenzoyl chloride
CID 14812487
2-[5-chloro-2-(1-chloro-2-oxopropyl)phenyl]-2-hydroxyacetic acid
CID 134656015

Frequently Asked Questions

What is the IUPAC name of bis[4-chloro-2-(dihydroxymethyl)phenyl]methanone?
The IUPAC name of bis[4-chloro-2-(dihydroxymethyl)phenyl]methanone (CID 139604109) is bis[4-chloro-2-(dihydroxymethyl)phenyl]methanone.
What is the SMILES notation for bis[4-chloro-2-(dihydroxymethyl)phenyl]methanone?
The canonical SMILES for bis[4-chloro-2-(dihydroxymethyl)phenyl]methanone is O=C(c1ccc(Cl)cc1C(O)O)c1ccc(Cl)cc1C(O)O.
What is the InChIKey of bis[4-chloro-2-(dihydroxymethyl)phenyl]methanone?
The InChIKey is DTJFWALFCGUQOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2O5/c16-7-1-3-9(11(5-7)14(19)20)13(18)10-4-2-8(17)6-12(10)15(21)22/h1-6,14-15,19-22H.
What are the key properties of bis[4-chloro-2-(dihydroxymethyl)phenyl]methanone?
bis[4-chloro-2-(dihydroxymethyl)phenyl]methanone has a molecular weight of 343.16 g/mol, XLogP of 2.19, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis[4-chloro-2-(dihydroxymethyl)phenyl]methanone is sourced from PubChem (CID 139604109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).