(2-methylsulfanylphenyl)-naphthalen-2-ylmethanol

C18H16OS — CID 115792773

IUPAC(2-methylsulfanylphenyl)-naphthalen-2-ylmethanol
SMILESCSc1ccccc1C(O)c1ccc2ccccc2c1
InChIInChI=1S/C18H16OS/c1-20-17-9-5-4-8-16(17)18(19)15-11-10-13-6-2-3-7-14(13)12-15/h2-12,18-19H,1H3
InChIKeyAQVGXSQSRGYQAN-UHFFFAOYSA-N
MW280.39 g/mol
LogP4.64
Rot. Bonds3

About (2-methylsulfanylphenyl)-naphthalen-2-ylmethanol

(2-methylsulfanylphenyl)-naphthalen-2-ylmethanol (PubChem CID 115792773) has the molecular formula C18H16OS and a molecular weight of 280.39 g/mol. Its IUPAC name is (2-methylsulfanylphenyl)-naphthalen-2-ylmethanol.

Molecular Properties

Compound Name(2-methylsulfanylphenyl)-naphthalen-2-ylmethanol
PubChem CID115792773
Molecular FormulaC18H16OS
Molecular Weight280.39 g/mol
Exact Mass280.09
IUPAC Name(2-methylsulfanylphenyl)-naphthalen-2-ylmethanol
SMILESCSc1ccccc1C(O)c1ccc2ccccc2c1
InChIInChI=1S/C18H16OS/c1-20-17-9-5-4-8-16(17)18(19)15-11-10-13-6-2-3-7-14(13)12-15/h2-12,18-19H,1H3
InChIKeyAQVGXSQSRGYQAN-UHFFFAOYSA-N
XLogP4.64
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,3-dihydro-1H-inden-5-yl-(2-methylsulfanylphenyl)methanol
CID 79217290
(2-fluoro-4-methylphenyl)-naphthalen-2-ylmethanol
CID 115792718
(5-chloro-2-fluorophenyl)-naphthalen-2-ylmethanol
CID 114853062
(2,4-difluorophenyl)-naphthalen-2-ylmethanol
CID 61087912
(4-chloro-2-fluorophenyl)-naphthalen-2-ylmethanol
CID 63081233
(6-methyl-3-pyridinyl)-(2-methylsulfanylphenyl)methanol
CID 115796738
(2-methylsulfanyl-1,3-oxazol-4-yl)-naphthalen-2-ylmethanol
CID 44574368
(4-bromo-2-fluorophenyl)-naphthalen-2-ylmethanol
CID 63894323
naphthalen-2-ylmethanediol
CID 22496827
anthracen-2-yl(phenyl)methanol
CID 15685338
(2-methoxyphenyl)-(2-methylsulfanylphenyl)methanol
CID 114978739
(2-amino-5-bromophenyl)-naphthalen-2-ylmethanol
CID 82703708

Frequently Asked Questions

What is the IUPAC name of (2-methylsulfanylphenyl)-naphthalen-2-ylmethanol?
The IUPAC name of (2-methylsulfanylphenyl)-naphthalen-2-ylmethanol (CID 115792773) is (2-methylsulfanylphenyl)-naphthalen-2-ylmethanol.
What is the SMILES notation for (2-methylsulfanylphenyl)-naphthalen-2-ylmethanol?
The canonical SMILES for (2-methylsulfanylphenyl)-naphthalen-2-ylmethanol is CSc1ccccc1C(O)c1ccc2ccccc2c1.
What is the InChIKey of (2-methylsulfanylphenyl)-naphthalen-2-ylmethanol?
The InChIKey is AQVGXSQSRGYQAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16OS/c1-20-17-9-5-4-8-16(17)18(19)15-11-10-13-6-2-3-7-14(13)12-15/h2-12,18-19H,1H3.
What are the key properties of (2-methylsulfanylphenyl)-naphthalen-2-ylmethanol?
(2-methylsulfanylphenyl)-naphthalen-2-ylmethanol has a molecular weight of 280.39 g/mol, XLogP of 4.64, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylsulfanylphenyl)-naphthalen-2-ylmethanol is sourced from PubChem (CID 115792773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).