(4-bromonaphthalen-1-yl)-(2,3-dichlorophenyl)methanol

C17H11BrCl2O — CID 79590685

IUPAC(4-bromonaphthalen-1-yl)-(2,3-dichlorophenyl)methanol
SMILESOC(c1cccc(Cl)c1Cl)c1ccc(Br)c2ccccc12
InChIInChI=1S/C17H11BrCl2O/c18-14-9-8-12(10-4-1-2-5-11(10)14)17(21)13-6-3-7-15(19)16(13)20/h1-9,17,21H
InChIKeyTZXXUMSUKNWWEI-UHFFFAOYSA-N
MW382.08 g/mol
LogP5.99
Rot. Bonds2

About (4-bromonaphthalen-1-yl)-(2,3-dichlorophenyl)methanol

(4-bromonaphthalen-1-yl)-(2,3-dichlorophenyl)methanol (PubChem CID 79590685) has the molecular formula C17H11BrCl2O and a molecular weight of 382.08 g/mol. Its IUPAC name is (4-bromonaphthalen-1-yl)-(2,3-dichlorophenyl)methanol.

Molecular Properties

Compound Name(4-bromonaphthalen-1-yl)-(2,3-dichlorophenyl)methanol
PubChem CID79590685
Molecular FormulaC17H11BrCl2O
Molecular Weight382.08 g/mol
Exact Mass379.94
IUPAC Name(4-bromonaphthalen-1-yl)-(2,3-dichlorophenyl)methanol
SMILESOC(c1cccc(Cl)c1Cl)c1ccc(Br)c2ccccc12
InChIInChI=1S/C17H11BrCl2O/c18-14-9-8-12(10-4-1-2-5-11(10)14)17(21)13-6-3-7-15(19)16(13)20/h1-9,17,21H
InChIKeyTZXXUMSUKNWWEI-UHFFFAOYSA-N
XLogP5.99
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.08
LogP ≤ 55.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(4-bromonaphthalen-1-yl)-(2,3-dichlorophenyl)methanamine
CID 79589877
(4-bromonaphthalen-1-yl)-(2-chloro-4-methylphenyl)methanol
CID 106862775
(2-bromo-4-fluorophenyl)-(2,3-dichlorophenyl)methanol
CID 115793021
1-bromo-4-[bromo-(2,6-dichlorophenyl)methyl]naphthalene
CID 79590906
1-benzothiophen-3-yl-(2,3-dichlorophenyl)methanol
CID 61088560
(4-bromonaphthalen-1-yl)-(3-bromophenyl)methanol
CID 79597081
(S)-(2-chlorophenyl)-naphthalen-1-ylmethanol
CID 92533915
(4-chloronaphthalen-1-yl)-(2,4-dibromophenyl)methanol
CID 107955684
(2-bromo-6-fluorophenyl)-(4-bromonaphthalen-1-yl)methanol
CID 114560508
(2,3-dichlorophenyl)-(1H-indol-4-yl)methanol
CID 115351822
(4-bromo-2,5-dimethoxyphenyl)-(2,3-dichlorophenyl)methanol
CID 105057027
(5-bromo-2-fluorophenyl)-(4-bromonaphthalen-1-yl)methanol
CID 79590688

Frequently Asked Questions

What is the IUPAC name of (4-bromonaphthalen-1-yl)-(2,3-dichlorophenyl)methanol?
The IUPAC name of (4-bromonaphthalen-1-yl)-(2,3-dichlorophenyl)methanol (CID 79590685) is (4-bromonaphthalen-1-yl)-(2,3-dichlorophenyl)methanol.
What is the SMILES notation for (4-bromonaphthalen-1-yl)-(2,3-dichlorophenyl)methanol?
The canonical SMILES for (4-bromonaphthalen-1-yl)-(2,3-dichlorophenyl)methanol is OC(c1cccc(Cl)c1Cl)c1ccc(Br)c2ccccc12.
What is the InChIKey of (4-bromonaphthalen-1-yl)-(2,3-dichlorophenyl)methanol?
The InChIKey is TZXXUMSUKNWWEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11BrCl2O/c18-14-9-8-12(10-4-1-2-5-11(10)14)17(21)13-6-3-7-15(19)16(13)20/h1-9,17,21H.
What are the key properties of (4-bromonaphthalen-1-yl)-(2,3-dichlorophenyl)methanol?
(4-bromonaphthalen-1-yl)-(2,3-dichlorophenyl)methanol has a molecular weight of 382.08 g/mol, XLogP of 5.99, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromonaphthalen-1-yl)-(2,3-dichlorophenyl)methanol is sourced from PubChem (CID 79590685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).