(3-bromo-4-methylphenyl)-naphthalen-1-ylmethanol

C18H15BrO — CID 81476478

IUPAC(3-bromo-4-methylphenyl)-naphthalen-1-ylmethanol
SMILESCc1ccc(C(O)c2cccc3ccccc23)cc1Br
InChIInChI=1S/C18H15BrO/c1-12-9-10-14(11-17(12)19)18(20)16-8-4-6-13-5-2-3-7-15(13)16/h2-11,18,20H,1H3
InChIKeyPQSPCFOONKAZKP-UHFFFAOYSA-N
MW327.22 g/mol
LogP4.99
Rot. Bonds2

About (3-bromo-4-methylphenyl)-naphthalen-1-ylmethanol

(3-bromo-4-methylphenyl)-naphthalen-1-ylmethanol (PubChem CID 81476478) has the molecular formula C18H15BrO and a molecular weight of 327.22 g/mol. Its IUPAC name is (3-bromo-4-methylphenyl)-naphthalen-1-ylmethanol.

Molecular Properties

Compound Name(3-bromo-4-methylphenyl)-naphthalen-1-ylmethanol
PubChem CID81476478
Molecular FormulaC18H15BrO
Molecular Weight327.22 g/mol
Exact Mass326.03
IUPAC Name(3-bromo-4-methylphenyl)-naphthalen-1-ylmethanol
SMILESCc1ccc(C(O)c2cccc3ccccc23)cc1Br
InChIInChI=1S/C18H15BrO/c1-12-9-10-14(11-17(12)19)18(20)16-8-4-6-13-5-2-3-7-15(13)16/h2-11,18,20H,1H3
InChIKeyPQSPCFOONKAZKP-UHFFFAOYSA-N
XLogP4.99
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.22
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(3-bromo-4-methylphenyl)-(4-methylnaphthalen-1-yl)methanol
CID 81460126
(3-bromo-4-methylphenyl)-isoquinolin-8-ylmethanol
CID 103139157
(S)-(3-amino-4-methylphenyl)-naphthalen-1-ylmethanol
CID 100804217
(3-bromo-4-methylphenyl)-(2,3-dimethylphenyl)methanol
CID 115791704
1-(3-bromo-4-methylphenyl)-2-naphthalen-1-ylethanol
CID 81475739
(S)-(2-bromophenyl)-naphthalen-1-ylmethanol
CID 94601935
(3-bromo-4-methylphenyl)-(3-methylphenyl)methanol
CID 114978122
(3-bromo-5-methylthiophen-2-yl)-naphthalen-1-ylmethanol
CID 65278588
1-[2-bromo-2-(3-bromo-4-methylphenyl)ethyl]naphthalene
CID 81476246
1-[bromo-(3,4-dimethylphenyl)methyl]naphthalene
CID 63435816
(S)-(3-chlorophenyl)-naphthalen-1-ylmethanol
CID 94549161
(5-fluoro-2-methylphenyl)-naphthalen-1-ylmethanol
CID 62791504

Frequently Asked Questions

What is the IUPAC name of (3-bromo-4-methylphenyl)-naphthalen-1-ylmethanol?
The IUPAC name of (3-bromo-4-methylphenyl)-naphthalen-1-ylmethanol (CID 81476478) is (3-bromo-4-methylphenyl)-naphthalen-1-ylmethanol.
What is the SMILES notation for (3-bromo-4-methylphenyl)-naphthalen-1-ylmethanol?
The canonical SMILES for (3-bromo-4-methylphenyl)-naphthalen-1-ylmethanol is Cc1ccc(C(O)c2cccc3ccccc23)cc1Br.
What is the InChIKey of (3-bromo-4-methylphenyl)-naphthalen-1-ylmethanol?
The InChIKey is PQSPCFOONKAZKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrO/c1-12-9-10-14(11-17(12)19)18(20)16-8-4-6-13-5-2-3-7-15(13)16/h2-11,18,20H,1H3.
What are the key properties of (3-bromo-4-methylphenyl)-naphthalen-1-ylmethanol?
(3-bromo-4-methylphenyl)-naphthalen-1-ylmethanol has a molecular weight of 327.22 g/mol, XLogP of 4.99, 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)-naphthalen-1-ylmethanol is sourced from PubChem (CID 81476478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).