(3-bromo-5-chlorophenyl)-(3,4-dihydro-2H-chromen-6-yl)methanol

C16H14BrClO2 — CID 107955595

IUPAC(3-bromo-5-chlorophenyl)-(3,4-dihydro-2H-chromen-6-yl)methanol
SMILESOC(c1cc(Cl)cc(Br)c1)c1ccc2c(c1)CCCO2
InChIInChI=1S/C16H14BrClO2/c17-13-7-12(8-14(18)9-13)16(19)11-3-4-15-10(6-11)2-1-5-20-15/h3-4,6-9,16,19H,1-2,5H2
InChIKeyURQAIKXNBSNYAT-UHFFFAOYSA-N
MW353.64 g/mol
LogP4.51
Rot. Bonds2

About (3-bromo-5-chlorophenyl)-(3,4-dihydro-2H-chromen-6-yl)methanol

(3-bromo-5-chlorophenyl)-(3,4-dihydro-2H-chromen-6-yl)methanol (PubChem CID 107955595) has the molecular formula C16H14BrClO2 and a molecular weight of 353.64 g/mol. Its IUPAC name is (3-bromo-5-chlorophenyl)-(3,4-dihydro-2H-chromen-6-yl)methanol.

Molecular Properties

Compound Name(3-bromo-5-chlorophenyl)-(3,4-dihydro-2H-chromen-6-yl)methanol
PubChem CID107955595
Molecular FormulaC16H14BrClO2
Molecular Weight353.64 g/mol
Exact Mass351.99
IUPAC Name(3-bromo-5-chlorophenyl)-(3,4-dihydro-2H-chromen-6-yl)methanol
SMILESOC(c1cc(Cl)cc(Br)c1)c1ccc2c(c1)CCCO2
InChIInChI=1S/C16H14BrClO2/c17-13-7-12(8-14(18)9-13)16(19)11-3-4-15-10(6-11)2-1-5-20-15/h3-4,6-9,16,19H,1-2,5H2
InChIKeyURQAIKXNBSNYAT-UHFFFAOYSA-N
XLogP4.51
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.64
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3-bromo-5-chlorophenyl)-(3,4-dihydro-2H-chromen-6-yl)methanol 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

6-[(3-bromo-5-chlorophenyl)-chloromethyl]-3,4-dihydro-2H-chromene
CID 107957741
(3-bromo-5-chlorophenyl)-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methanol
CID 107947446
(3-bromo-5-fluorophenyl)-(3,4-dihydro-2H-chromen-6-yl)methanol
CID 61080782
(3,5-dichlorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanol
CID 61100429
3,4-dihydro-2H-chromen-6-yl-(4-propan-2-ylphenyl)methanol
CID 61083091
(2,4-dibromophenyl)-(3,4-dihydro-2H-chromen-6-yl)methanol
CID 107955593
6-[chloro-(4-chlorophenyl)methyl]-3,4-dihydro-2H-chromene
CID 63434966
(3-bromo-5-chlorophenyl)-(3,4-dihydro-2H-chromen-8-yl)methanol
CID 107947846
6-[bromo-(4-bromophenyl)methyl]-3,4-dihydro-2H-chromene
CID 63444189
(7-bromo-4-chloro-2,3-dihydro-1-benzofuran-5-yl)-(3,4-dihydro-2H-chromen-6-yl)methanol
CID 137498556
2-(4-chlorophenyl)-1-(3,4-dihydro-2H-chromen-6-yl)ethanol
CID 61080781
3,4-dihydro-2H-chromen-6-yl-(5-iodothiophen-3-yl)methanol
CID 79684302

Frequently Asked Questions

What is the IUPAC name of (3-bromo-5-chlorophenyl)-(3,4-dihydro-2H-chromen-6-yl)methanol?
The IUPAC name of (3-bromo-5-chlorophenyl)-(3,4-dihydro-2H-chromen-6-yl)methanol (CID 107955595) is (3-bromo-5-chlorophenyl)-(3,4-dihydro-2H-chromen-6-yl)methanol.
What is the SMILES notation for (3-bromo-5-chlorophenyl)-(3,4-dihydro-2H-chromen-6-yl)methanol?
The canonical SMILES for (3-bromo-5-chlorophenyl)-(3,4-dihydro-2H-chromen-6-yl)methanol is OC(c1cc(Cl)cc(Br)c1)c1ccc2c(c1)CCCO2.
What is the InChIKey of (3-bromo-5-chlorophenyl)-(3,4-dihydro-2H-chromen-6-yl)methanol?
The InChIKey is URQAIKXNBSNYAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrClO2/c17-13-7-12(8-14(18)9-13)16(19)11-3-4-15-10(6-11)2-1-5-20-15/h3-4,6-9,16,19H,1-2,5H2.
What are the key properties of (3-bromo-5-chlorophenyl)-(3,4-dihydro-2H-chromen-6-yl)methanol?
(3-bromo-5-chlorophenyl)-(3,4-dihydro-2H-chromen-6-yl)methanol has a molecular weight of 353.64 g/mol, XLogP of 4.51, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-5-chlorophenyl)-(3,4-dihydro-2H-chromen-6-yl)methanol is sourced from PubChem (CID 107955595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).