(4-bromonaphthalen-1-yl)-(5-methylthiophen-2-yl)methanol

C16H13BrOS — CID 79596868

IUPAC(4-bromonaphthalen-1-yl)-(5-methylthiophen-2-yl)methanol
SMILESCc1ccc(C(O)c2ccc(Br)c3ccccc23)s1
InChIInChI=1S/C16H13BrOS/c1-10-6-9-15(19-10)16(18)13-7-8-14(17)12-5-3-2-4-11(12)13/h2-9,16,18H,1H3
InChIKeyOTKBCLHHRMUXTC-UHFFFAOYSA-N
MW333.25 g/mol
LogP5.05
Rot. Bonds2

About (4-bromonaphthalen-1-yl)-(5-methylthiophen-2-yl)methanol

(4-bromonaphthalen-1-yl)-(5-methylthiophen-2-yl)methanol (PubChem CID 79596868) has the molecular formula C16H13BrOS and a molecular weight of 333.25 g/mol. Its IUPAC name is (4-bromonaphthalen-1-yl)-(5-methylthiophen-2-yl)methanol.

Molecular Properties

Compound Name(4-bromonaphthalen-1-yl)-(5-methylthiophen-2-yl)methanol
PubChem CID79596868
Molecular FormulaC16H13BrOS
Molecular Weight333.25 g/mol
Exact Mass331.99
IUPAC Name(4-bromonaphthalen-1-yl)-(5-methylthiophen-2-yl)methanol
SMILESCc1ccc(C(O)c2ccc(Br)c3ccccc23)s1
InChIInChI=1S/C16H13BrOS/c1-10-6-9-15(19-10)16(18)13-7-8-14(17)12-5-3-2-4-11(12)13/h2-9,16,18H,1H3
InChIKeyOTKBCLHHRMUXTC-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

(5-methylthiophen-2-yl)-(2,3,4-trimethoxyphenyl)methanol
CID 61099992
(4-bromonaphthalen-1-yl)-(2-chloro-4-methylphenyl)methanol
CID 106862775
1H-indol-4-yl-(5-methylthiophen-2-yl)methanol
CID 115351831
1-(4-bromonaphthalen-1-yl)propan-1-ol
CID 79597638
(4-bromo-5-chloro-2-fluorophenyl)-(5-methylthiophen-2-yl)methanol
CID 105399338
(2-methylnaphthalen-1-yl)-(5-methylthiophen-2-yl)methanol
CID 79020949
2-[bromo-(4-chloronaphthalen-1-yl)methyl]-5-methylthiophene
CID 79596914
[2-(difluoromethoxy)phenyl]-(5-methylthiophen-2-yl)methanol
CID 61101714
(4-bromonaphthalen-1-yl)-(3-bromophenyl)methanol
CID 79597081
2-[(4-bromonaphthalen-1-yl)-chloromethyl]-5-chlorothiophene
CID 79593812
(2-bromo-6-fluorophenyl)-(4-bromonaphthalen-1-yl)methanol
CID 114560508
(4-bromonaphthalen-1-yl)-(2,3-dichlorophenyl)methanol
CID 79590685

Frequently Asked Questions

What is the IUPAC name of (4-bromonaphthalen-1-yl)-(5-methylthiophen-2-yl)methanol?
The IUPAC name of (4-bromonaphthalen-1-yl)-(5-methylthiophen-2-yl)methanol (CID 79596868) is (4-bromonaphthalen-1-yl)-(5-methylthiophen-2-yl)methanol.
What is the SMILES notation for (4-bromonaphthalen-1-yl)-(5-methylthiophen-2-yl)methanol?
The canonical SMILES for (4-bromonaphthalen-1-yl)-(5-methylthiophen-2-yl)methanol is Cc1ccc(C(O)c2ccc(Br)c3ccccc23)s1.
What is the InChIKey of (4-bromonaphthalen-1-yl)-(5-methylthiophen-2-yl)methanol?
The InChIKey is OTKBCLHHRMUXTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrOS/c1-10-6-9-15(19-10)16(18)13-7-8-14(17)12-5-3-2-4-11(12)13/h2-9,16,18H,1H3.
What are the key properties of (4-bromonaphthalen-1-yl)-(5-methylthiophen-2-yl)methanol?
(4-bromonaphthalen-1-yl)-(5-methylthiophen-2-yl)methanol 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 (4-bromonaphthalen-1-yl)-(5-methylthiophen-2-yl)methanol is sourced from PubChem (CID 79596868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).