(4-bromo-3,5-dimethylphenyl)-naphthalen-2-ylmethanol

C19H17BrO — CID 114329794

IUPAC(4-bromo-3,5-dimethylphenyl)-naphthalen-2-ylmethanol
SMILESCc1cc(C(O)c2ccc3ccccc3c2)cc(C)c1Br
InChIInChI=1S/C19H17BrO/c1-12-9-17(10-13(2)18(12)20)19(21)16-8-7-14-5-3-4-6-15(14)11-16/h3-11,19,21H,1-2H3
InChIKeySYMFTQLLMJZMEN-UHFFFAOYSA-N
MW341.25 g/mol
LogP5.30
Rot. Bonds2

About (4-bromo-3,5-dimethylphenyl)-naphthalen-2-ylmethanol

(4-bromo-3,5-dimethylphenyl)-naphthalen-2-ylmethanol (PubChem CID 114329794) has the molecular formula C19H17BrO and a molecular weight of 341.25 g/mol. Its IUPAC name is (4-bromo-3,5-dimethylphenyl)-naphthalen-2-ylmethanol.

Molecular Properties

Compound Name(4-bromo-3,5-dimethylphenyl)-naphthalen-2-ylmethanol
PubChem CID114329794
Molecular FormulaC19H17BrO
Molecular Weight341.25 g/mol
Exact Mass340.05
IUPAC Name(4-bromo-3,5-dimethylphenyl)-naphthalen-2-ylmethanol
SMILESCc1cc(C(O)c2ccc3ccccc3c2)cc(C)c1Br
InChIInChI=1S/C19H17BrO/c1-12-9-17(10-13(2)18(12)20)19(21)16-8-7-14-5-3-4-6-15(14)11-16/h3-11,19,21H,1-2H3
InChIKeySYMFTQLLMJZMEN-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

anthracen-2-yl(phenyl)methanol
CID 15685338
(4-bromo-2-fluorophenyl)-naphthalen-2-ylmethanol
CID 63894323
(2-amino-5-bromophenyl)-naphthalen-2-ylmethanol
CID 82703708
naphthalen-2-ylmethanediol
CID 22496827
(5-chloro-4-methylthiophen-2-yl)-naphthalen-2-ylmethanol
CID 102764365
2-[bromo-(4-methylphenyl)methyl]naphthalene
CID 63437307
2-[bromo-(2,4,6-trimethylphenyl)methyl]naphthalene
CID 63440169
(4-bromo-3,5-dimethylphenyl)-(3-fluoro-5-methylphenyl)methanol
CID 114329914
(4-bromo-3,5-dimethylphenyl)-[2-(trifluoromethyl)phenyl]methanol
CID 114330011
(5-bromo-2-methylphenyl)-naphthalen-2-ylmethanamine
CID 115851118
(3-chloro-4-methoxyphenyl)-naphthalen-2-ylmethanol
CID 61099330
(2-fluoro-4-methylphenyl)-naphthalen-2-ylmethanol
CID 115792718

Frequently Asked Questions

What is the IUPAC name of (4-bromo-3,5-dimethylphenyl)-naphthalen-2-ylmethanol?
The IUPAC name of (4-bromo-3,5-dimethylphenyl)-naphthalen-2-ylmethanol (CID 114329794) is (4-bromo-3,5-dimethylphenyl)-naphthalen-2-ylmethanol.
What is the SMILES notation for (4-bromo-3,5-dimethylphenyl)-naphthalen-2-ylmethanol?
The canonical SMILES for (4-bromo-3,5-dimethylphenyl)-naphthalen-2-ylmethanol is Cc1cc(C(O)c2ccc3ccccc3c2)cc(C)c1Br.
What is the InChIKey of (4-bromo-3,5-dimethylphenyl)-naphthalen-2-ylmethanol?
The InChIKey is SYMFTQLLMJZMEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17BrO/c1-12-9-17(10-13(2)18(12)20)19(21)16-8-7-14-5-3-4-6-15(14)11-16/h3-11,19,21H,1-2H3.
What are the key properties of (4-bromo-3,5-dimethylphenyl)-naphthalen-2-ylmethanol?
(4-bromo-3,5-dimethylphenyl)-naphthalen-2-ylmethanol 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 (4-bromo-3,5-dimethylphenyl)-naphthalen-2-ylmethanol is sourced from PubChem (CID 114329794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).