(3-bromo-4-methylphenyl)-(4-methylnaphthalen-1-yl)methanol

C19H17BrO — CID 81460126

IUPAC(3-bromo-4-methylphenyl)-(4-methylnaphthalen-1-yl)methanol
SMILESCc1ccc(C(O)c2ccc(C)c3ccccc23)cc1Br
InChIInChI=1S/C19H17BrO/c1-12-8-10-17(16-6-4-3-5-15(12)16)19(21)14-9-7-13(2)18(20)11-14/h3-11,19,21H,1-2H3
InChIKeyHXFKKVGPGAOYJH-UHFFFAOYSA-N
MW341.25 g/mol
LogP5.30
Rot. Bonds2

About (3-bromo-4-methylphenyl)-(4-methylnaphthalen-1-yl)methanol

(3-bromo-4-methylphenyl)-(4-methylnaphthalen-1-yl)methanol (PubChem CID 81460126) has the molecular formula C19H17BrO and a molecular weight of 341.25 g/mol. Its IUPAC name is (3-bromo-4-methylphenyl)-(4-methylnaphthalen-1-yl)methanol.

Molecular Properties

Compound Name(3-bromo-4-methylphenyl)-(4-methylnaphthalen-1-yl)methanol
PubChem CID81460126
Molecular FormulaC19H17BrO
Molecular Weight341.25 g/mol
Exact Mass340.05
IUPAC Name(3-bromo-4-methylphenyl)-(4-methylnaphthalen-1-yl)methanol
SMILESCc1ccc(C(O)c2ccc(C)c3ccccc23)cc1Br
InChIInChI=1S/C19H17BrO/c1-12-8-10-17(16-6-4-3-5-15(12)16)19(21)14-9-7-13(2)18(20)11-14/h3-11,19,21H,1-2H3
InChIKeyHXFKKVGPGAOYJH-UHFFFAOYSA-N
XLogP5.30
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.25
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(3-bromo-4-methylphenyl)-naphthalen-1-ylmethanol
CID 81476478
(3-bromo-4-methylphenyl)-(2,3-dimethylphenyl)methanol
CID 115791704
(3-bromo-4-methylphenyl)-(2,4-difluorophenyl)methanol
CID 81476067
(3-bromo-4-methylphenyl)-isoquinolin-8-ylmethanol
CID 103139157
(3-bromo-4-methylphenyl)-(3-methylphenyl)methanol
CID 114978122
(3-bromo-4-methylphenyl)-(2,5-difluoro-4-methylphenyl)methanol
CID 81475821
(2-amino-3-pyridinyl)-(3-bromo-4-methylphenyl)methanol
CID 105402842
(4-chloronaphthalen-1-yl)-(3-fluoro-4-methylphenyl)methanol
CID 79592562
(3-bromo-4-methylphenyl)-(4-methoxy-3,5-dimethylphenyl)methanol
CID 83067897
(4-bromonaphthalen-1-yl)-(3-bromophenyl)methanol
CID 79597081
(3-bromo-4-methoxyphenyl)-(2-methoxy-3,4-dimethylphenyl)methanol
CID 103432477
(3-bromo-4-methylphenyl)-(2-chloro-5-fluorophenyl)methanol
CID 105397627

Frequently Asked Questions

What is the IUPAC name of (3-bromo-4-methylphenyl)-(4-methylnaphthalen-1-yl)methanol?
The IUPAC name of (3-bromo-4-methylphenyl)-(4-methylnaphthalen-1-yl)methanol (CID 81460126) is (3-bromo-4-methylphenyl)-(4-methylnaphthalen-1-yl)methanol.
What is the SMILES notation for (3-bromo-4-methylphenyl)-(4-methylnaphthalen-1-yl)methanol?
The canonical SMILES for (3-bromo-4-methylphenyl)-(4-methylnaphthalen-1-yl)methanol is Cc1ccc(C(O)c2ccc(C)c3ccccc23)cc1Br.
What is the InChIKey of (3-bromo-4-methylphenyl)-(4-methylnaphthalen-1-yl)methanol?
The InChIKey is HXFKKVGPGAOYJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17BrO/c1-12-8-10-17(16-6-4-3-5-15(12)16)19(21)14-9-7-13(2)18(20)11-14/h3-11,19,21H,1-2H3.
What are the key properties of (3-bromo-4-methylphenyl)-(4-methylnaphthalen-1-yl)methanol?
(3-bromo-4-methylphenyl)-(4-methylnaphthalen-1-yl)methanol has a molecular weight of 341.25 g/mol, XLogP of 5.30, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-4-methylphenyl)-(4-methylnaphthalen-1-yl)methanol is sourced from PubChem (CID 81460126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).