(3-bromo-2-chlorophenyl)-(3,4-dihydro-2H-chromen-8-yl)methanol

C16H14BrClO2 — CID 115837822

IUPAC(3-bromo-2-chlorophenyl)-(3,4-dihydro-2H-chromen-8-yl)methanol
SMILESOC(c1cccc(Br)c1Cl)c1cccc2c1OCCC2
InChIInChI=1S/C16H14BrClO2/c17-13-8-2-6-11(14(13)18)15(19)12-7-1-4-10-5-3-9-20-16(10)12/h1-2,4,6-8,15,19H,3,5,9H2
InChIKeyPWWHGPLHGPWRQR-UHFFFAOYSA-N
MW353.64 g/mol
LogP4.51
Rot. Bonds2

About (3-bromo-2-chlorophenyl)-(3,4-dihydro-2H-chromen-8-yl)methanol

(3-bromo-2-chlorophenyl)-(3,4-dihydro-2H-chromen-8-yl)methanol (PubChem CID 115837822) has the molecular formula C16H14BrClO2 and a molecular weight of 353.64 g/mol. Its IUPAC name is (3-bromo-2-chlorophenyl)-(3,4-dihydro-2H-chromen-8-yl)methanol.

Molecular Properties

Compound Name(3-bromo-2-chlorophenyl)-(3,4-dihydro-2H-chromen-8-yl)methanol
PubChem CID115837822
Molecular FormulaC16H14BrClO2
Molecular Weight353.64 g/mol
Exact Mass351.99
IUPAC Name(3-bromo-2-chlorophenyl)-(3,4-dihydro-2H-chromen-8-yl)methanol
SMILESOC(c1cccc(Br)c1Cl)c1cccc2c1OCCC2
InChIInChI=1S/C16H14BrClO2/c17-13-8-2-6-11(14(13)18)15(19)12-7-1-4-10-5-3-9-20-16(10)12/h1-2,4,6-8,15,19H,3,5,9H2
InChIKeyPWWHGPLHGPWRQR-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

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Related Compounds

(3-chloro-2-fluorophenyl)-(3,4-dihydro-2H-chromen-8-yl)methanol
CID 114743779
(2-chlorofuran-3-yl)-(3,4-dihydro-2H-chromen-8-yl)methanol
CID 106694050
(3-bromo-5-chlorophenyl)-(3,4-dihydro-2H-chromen-8-yl)methanol
CID 107947846
3,4-dihydro-2H-chromen-8-yl-(2-fluorophenyl)methanol
CID 114743309
3,4-dihydro-2H-chromen-8-yl-(2-methylphenyl)methanol
CID 114743328
3,4-dihydro-2H-chromen-8-yl-(2-iodophenyl)methanol
CID 115837843
(2-bromo-3,4-difluorophenyl)-(3,4-dihydro-2H-chromen-8-yl)methanol
CID 107538517
(2-amino-4-chlorophenyl)-(3,4-dihydro-2H-chromen-8-yl)methanol
CID 114744548
(3-bromo-4-fluorophenyl)-(3,4-dihydro-2H-chromen-8-yl)methanol
CID 114743343
(4-bromo-3,5-dimethylphenyl)-(3,4-dihydro-2H-chromen-8-yl)methanol
CID 114744817
(2-chlorophenyl)-(2,3-dihydro-1-benzofuran-7-yl)methanol
CID 114743289
1-(3-bromo-2-chlorophenyl)-1-(2,3-dihydro-1-benzofuran-7-yl)-N-methylmethanamine
CID 105053440

Frequently Asked Questions

What is the IUPAC name of (3-bromo-2-chlorophenyl)-(3,4-dihydro-2H-chromen-8-yl)methanol?
The IUPAC name of (3-bromo-2-chlorophenyl)-(3,4-dihydro-2H-chromen-8-yl)methanol (CID 115837822) is (3-bromo-2-chlorophenyl)-(3,4-dihydro-2H-chromen-8-yl)methanol.
What is the SMILES notation for (3-bromo-2-chlorophenyl)-(3,4-dihydro-2H-chromen-8-yl)methanol?
The canonical SMILES for (3-bromo-2-chlorophenyl)-(3,4-dihydro-2H-chromen-8-yl)methanol is OC(c1cccc(Br)c1Cl)c1cccc2c1OCCC2.
What is the InChIKey of (3-bromo-2-chlorophenyl)-(3,4-dihydro-2H-chromen-8-yl)methanol?
The InChIKey is PWWHGPLHGPWRQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrClO2/c17-13-8-2-6-11(14(13)18)15(19)12-7-1-4-10-5-3-9-20-16(10)12/h1-2,4,6-8,15,19H,3,5,9H2.
What are the key properties of (3-bromo-2-chlorophenyl)-(3,4-dihydro-2H-chromen-8-yl)methanol?
(3-bromo-2-chlorophenyl)-(3,4-dihydro-2H-chromen-8-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-2-chlorophenyl)-(3,4-dihydro-2H-chromen-8-yl)methanol is sourced from PubChem (CID 115837822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).