(3-bromo-5-methylthiophen-2-yl)-naphthalen-1-ylmethanol

C16H13BrOS — CID 65278588

IUPAC(3-bromo-5-methylthiophen-2-yl)-naphthalen-1-ylmethanol
SMILESCc1cc(Br)c(C(O)c2cccc3ccccc23)s1
InChIInChI=1S/C16H13BrOS/c1-10-9-14(17)16(19-10)15(18)13-8-4-6-11-5-2-3-7-12(11)13/h2-9,15,18H,1H3
InChIKeyKNLUTIXRMDLQEL-UHFFFAOYSA-N
MW333.25 g/mol
LogP5.05
Rot. Bonds2

About (3-bromo-5-methylthiophen-2-yl)-naphthalen-1-ylmethanol

(3-bromo-5-methylthiophen-2-yl)-naphthalen-1-ylmethanol (PubChem CID 65278588) has the molecular formula C16H13BrOS and a molecular weight of 333.25 g/mol. Its IUPAC name is (3-bromo-5-methylthiophen-2-yl)-naphthalen-1-ylmethanol.

Molecular Properties

Compound Name(3-bromo-5-methylthiophen-2-yl)-naphthalen-1-ylmethanol
PubChem CID65278588
Molecular FormulaC16H13BrOS
Molecular Weight333.25 g/mol
Exact Mass331.99
IUPAC Name(3-bromo-5-methylthiophen-2-yl)-naphthalen-1-ylmethanol
SMILESCc1cc(Br)c(C(O)c2cccc3ccccc23)s1
InChIInChI=1S/C16H13BrOS/c1-10-9-14(17)16(19-10)15(18)13-8-4-6-11-5-2-3-7-12(11)13/h2-9,15,18H,1H3
InChIKeyKNLUTIXRMDLQEL-UHFFFAOYSA-N
XLogP5.05
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.25
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-bromo-5-methylthiophen-2-yl)-[2-(difluoromethoxy)phenyl]methanol
CID 65278800
(S)-(2-bromophenyl)-naphthalen-1-ylmethanol
CID 94601935
(3-bromo-4-methylphenyl)-naphthalen-1-ylmethanol
CID 81476478
(3-bromo-5-methylthiophen-2-yl)-(3-methylphenyl)methanol
CID 65278704
1-(3-bromo-5-methylthiophen-2-yl)-2-phenylethanol
CID 65278587
(3-bromo-5-methylthiophen-2-yl)-(3-chlorophenyl)methanol
CID 65278280
(3-bromo-5-methylthiophen-2-yl)-(furan-2-yl)methanol
CID 65278798
(3-bromo-5-methylthiophen-2-yl)-(2,4-difluoro-5-methylphenyl)methanol
CID 113396535
(3,5-dimethylthiophen-2-yl)-(2-methylphenyl)methanol
CID 81158627
(3-bromo-5-methylthiophen-2-yl)-(3-methylsulfonylphenyl)methanol
CID 65278954
(1S,2S)-1,2-dinaphthalen-1-ylethane-1,2-diol
CID 10470897
(3-amino-2-methylphenyl)-naphthalen-1-ylmethanol
CID 91678603

Frequently Asked Questions

What is the IUPAC name of (3-bromo-5-methylthiophen-2-yl)-naphthalen-1-ylmethanol?
The IUPAC name of (3-bromo-5-methylthiophen-2-yl)-naphthalen-1-ylmethanol (CID 65278588) is (3-bromo-5-methylthiophen-2-yl)-naphthalen-1-ylmethanol.
What is the SMILES notation for (3-bromo-5-methylthiophen-2-yl)-naphthalen-1-ylmethanol?
The canonical SMILES for (3-bromo-5-methylthiophen-2-yl)-naphthalen-1-ylmethanol is Cc1cc(Br)c(C(O)c2cccc3ccccc23)s1.
What is the InChIKey of (3-bromo-5-methylthiophen-2-yl)-naphthalen-1-ylmethanol?
The InChIKey is KNLUTIXRMDLQEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrOS/c1-10-9-14(17)16(19-10)15(18)13-8-4-6-11-5-2-3-7-12(11)13/h2-9,15,18H,1H3.
What are the key properties of (3-bromo-5-methylthiophen-2-yl)-naphthalen-1-ylmethanol?
(3-bromo-5-methylthiophen-2-yl)-naphthalen-1-ylmethanol has a molecular weight of 333.25 g/mol, XLogP of 5.05, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-5-methylthiophen-2-yl)-naphthalen-1-ylmethanol is sourced from PubChem (CID 65278588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).