(4-bromonaphthalen-1-yl)-(2-chloro-4-methylphenyl)methanol

C18H14BrClO — CID 106862775

IUPAC(4-bromonaphthalen-1-yl)-(2-chloro-4-methylphenyl)methanol
SMILESCc1ccc(C(O)c2ccc(Br)c3ccccc23)c(Cl)c1
InChIInChI=1S/C18H14BrClO/c1-11-6-7-15(17(20)10-11)18(21)14-8-9-16(19)13-5-3-2-4-12(13)14/h2-10,18,21H,1H3
InChIKeyGUSTWYPEIFNPBD-UHFFFAOYSA-N
MW361.67 g/mol
LogP5.65
Rot. Bonds2

About (4-bromonaphthalen-1-yl)-(2-chloro-4-methylphenyl)methanol

(4-bromonaphthalen-1-yl)-(2-chloro-4-methylphenyl)methanol (PubChem CID 106862775) has the molecular formula C18H14BrClO and a molecular weight of 361.67 g/mol. Its IUPAC name is (4-bromonaphthalen-1-yl)-(2-chloro-4-methylphenyl)methanol.

Molecular Properties

Compound Name(4-bromonaphthalen-1-yl)-(2-chloro-4-methylphenyl)methanol
PubChem CID106862775
Molecular FormulaC18H14BrClO
Molecular Weight361.67 g/mol
Exact Mass359.99
IUPAC Name(4-bromonaphthalen-1-yl)-(2-chloro-4-methylphenyl)methanol
SMILESCc1ccc(C(O)c2ccc(Br)c3ccccc23)c(Cl)c1
InChIInChI=1S/C18H14BrClO/c1-11-6-7-15(17(20)10-11)18(21)14-8-9-16(19)13-5-3-2-4-12(13)14/h2-10,18,21H,1H3
InChIKeyGUSTWYPEIFNPBD-UHFFFAOYSA-N
XLogP5.65
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.67
LogP ≤ 55.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(4-bromonaphthalen-1-yl)-(2,3-dichlorophenyl)methanol
CID 79590685
(4-chloronaphthalen-1-yl)-(2,4-dibromophenyl)methanol
CID 107955684
(5-bromo-2-fluorophenyl)-(4-bromonaphthalen-1-yl)methanol
CID 79590688
(4-bromonaphthalen-1-yl)-(3-bromophenyl)methanol
CID 79597081
1-bromo-4-[bromo-(2,4-dimethylphenyl)methyl]naphthalene
CID 79590884
1-[bromo-(2-chloro-4-methylphenyl)methyl]-4-chloronaphthalene
CID 106863195
(4-chloro-2,5-dimethylphenyl)-(2-chloro-4-methylphenyl)methanol
CID 106862759
1-(4-bromonaphthalen-1-yl)-2-(4-methylphenyl)ethanol
CID 79590447
1-[bromo-(2-chloro-4-methylphenyl)methyl]-4-methylnaphthalene
CID 106863173
(2-chloro-4-methylphenyl)-(2,5-dichlorothiophen-3-yl)methanol
CID 106862706
(4-bromonaphthalen-1-yl)-(5-methylthiophen-2-yl)methanol
CID 79596868
(2-chloro-4-methylphenyl)-isoquinolin-5-ylmethanol
CID 106859204

Frequently Asked Questions

What is the IUPAC name of (4-bromonaphthalen-1-yl)-(2-chloro-4-methylphenyl)methanol?
The IUPAC name of (4-bromonaphthalen-1-yl)-(2-chloro-4-methylphenyl)methanol (CID 106862775) is (4-bromonaphthalen-1-yl)-(2-chloro-4-methylphenyl)methanol.
What is the SMILES notation for (4-bromonaphthalen-1-yl)-(2-chloro-4-methylphenyl)methanol?
The canonical SMILES for (4-bromonaphthalen-1-yl)-(2-chloro-4-methylphenyl)methanol is Cc1ccc(C(O)c2ccc(Br)c3ccccc23)c(Cl)c1.
What is the InChIKey of (4-bromonaphthalen-1-yl)-(2-chloro-4-methylphenyl)methanol?
The InChIKey is GUSTWYPEIFNPBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14BrClO/c1-11-6-7-15(17(20)10-11)18(21)14-8-9-16(19)13-5-3-2-4-12(13)14/h2-10,18,21H,1H3.
What are the key properties of (4-bromonaphthalen-1-yl)-(2-chloro-4-methylphenyl)methanol?
(4-bromonaphthalen-1-yl)-(2-chloro-4-methylphenyl)methanol has a molecular weight of 361.67 g/mol, XLogP of 5.65, 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-chloro-4-methylphenyl)methanol is sourced from PubChem (CID 106862775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).