(5-chloro-4-methylthiophen-2-yl)-naphthalen-2-ylmethanol

C16H13ClOS — CID 102764365

IUPAC(5-chloro-4-methylthiophen-2-yl)-naphthalen-2-ylmethanol
SMILESCc1cc(C(O)c2ccc3ccccc3c2)sc1Cl
InChIInChI=1S/C16H13ClOS/c1-10-8-14(19-16(10)17)15(18)13-7-6-11-4-2-3-5-12(11)9-13/h2-9,15,18H,1H3
InChIKeySOUQJJOYZYJFQM-UHFFFAOYSA-N
MW288.80 g/mol
LogP4.94
Rot. Bonds2

About (5-chloro-4-methylthiophen-2-yl)-naphthalen-2-ylmethanol

(5-chloro-4-methylthiophen-2-yl)-naphthalen-2-ylmethanol (PubChem CID 102764365) has the molecular formula C16H13ClOS and a molecular weight of 288.80 g/mol. Its IUPAC name is (5-chloro-4-methylthiophen-2-yl)-naphthalen-2-ylmethanol.

Molecular Properties

Compound Name(5-chloro-4-methylthiophen-2-yl)-naphthalen-2-ylmethanol
PubChem CID102764365
Molecular FormulaC16H13ClOS
Molecular Weight288.80 g/mol
Exact Mass288.04
IUPAC Name(5-chloro-4-methylthiophen-2-yl)-naphthalen-2-ylmethanol
SMILESCc1cc(C(O)c2ccc3ccccc3c2)sc1Cl
InChIInChI=1S/C16H13ClOS/c1-10-8-14(19-16(10)17)15(18)13-7-6-11-4-2-3-5-12(11)9-13/h2-9,15,18H,1H3
InChIKeySOUQJJOYZYJFQM-UHFFFAOYSA-N
XLogP4.94
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.80
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5-chloro-4-methylthiophen-2-yl)-naphthalen-2-ylmethanamine
CID 102763371
(5-chloro-4-methylthiophen-2-yl)-(4-fluoro-3-methylphenyl)methanol
CID 102764444
(3-chloro-4-fluorophenyl)-(5-chloro-4-methylthiophen-2-yl)methanol
CID 102764385
(4-bromo-3,5-dimethylphenyl)-naphthalen-2-ylmethanol
CID 114329794
(1S)-1-(5-chloro-4-methylthiophen-2-yl)ethanol
CID 102765292
5-[bromo-(4-propan-2-ylphenyl)methyl]-2-chloro-3-methylthiophene
CID 102764996
(4,5-dimethylthiophen-2-yl)-quinolin-6-ylmethanol
CID 115826735
(2-methylsulfanylphenyl)-naphthalen-2-ylmethanol
CID 115792773
(3-chloro-4-methoxyphenyl)-naphthalen-2-ylmethanol
CID 61099330
naphthalen-2-ylmethanediol
CID 22496827
1-(5-chloro-4-methylthiophen-2-yl)-2-methylpropan-1-ol
CID 102764468
(5-bromo-2-chlorophenyl)-(5-chloro-4-methylthiophen-2-yl)methanol
CID 102764402

Frequently Asked Questions

What is the IUPAC name of (5-chloro-4-methylthiophen-2-yl)-naphthalen-2-ylmethanol?
The IUPAC name of (5-chloro-4-methylthiophen-2-yl)-naphthalen-2-ylmethanol (CID 102764365) is (5-chloro-4-methylthiophen-2-yl)-naphthalen-2-ylmethanol.
What is the SMILES notation for (5-chloro-4-methylthiophen-2-yl)-naphthalen-2-ylmethanol?
The canonical SMILES for (5-chloro-4-methylthiophen-2-yl)-naphthalen-2-ylmethanol is Cc1cc(C(O)c2ccc3ccccc3c2)sc1Cl.
What is the InChIKey of (5-chloro-4-methylthiophen-2-yl)-naphthalen-2-ylmethanol?
The InChIKey is SOUQJJOYZYJFQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClOS/c1-10-8-14(19-16(10)17)15(18)13-7-6-11-4-2-3-5-12(11)9-13/h2-9,15,18H,1H3.
What are the key properties of (5-chloro-4-methylthiophen-2-yl)-naphthalen-2-ylmethanol?
(5-chloro-4-methylthiophen-2-yl)-naphthalen-2-ylmethanol has a molecular weight of 288.80 g/mol, XLogP of 4.94, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-4-methylthiophen-2-yl)-naphthalen-2-ylmethanol is sourced from PubChem (CID 102764365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).