(3-methylsulfanyl-6,7-dihydronaphthalen-2-yl)methanol

C12H14OS — CID 144526898

IUPAC(3-methylsulfanyl-6,7-dihydronaphthalen-2-yl)methanol
SMILESCSc1cc2c(cc1CO)=CCCC=2
InChIInChI=1S/C12H14OS/c1-14-12-7-10-5-3-2-4-9(10)6-11(12)8-13/h4-7,13H,2-3,8H2,1H3
InChIKeyHHNDCOOURHFQGR-UHFFFAOYSA-N
MW206.31 g/mol
LogP1.26
Rot. Bonds2

About (3-methylsulfanyl-6,7-dihydronaphthalen-2-yl)methanol

(3-methylsulfanyl-6,7-dihydronaphthalen-2-yl)methanol (PubChem CID 144526898) has the molecular formula C12H14OS and a molecular weight of 206.31 g/mol. Its IUPAC name is (3-methylsulfanyl-6,7-dihydronaphthalen-2-yl)methanol.

Molecular Properties

Compound Name(3-methylsulfanyl-6,7-dihydronaphthalen-2-yl)methanol
PubChem CID144526898
Molecular FormulaC12H14OS
Molecular Weight206.31 g/mol
Exact Mass206.08
IUPAC Name(3-methylsulfanyl-6,7-dihydronaphthalen-2-yl)methanol
SMILESCSc1cc2c(cc1CO)=CCCC=2
InChIInChI=1S/C12H14OS/c1-14-12-7-10-5-3-2-4-9(10)6-11(12)8-13/h4-7,13H,2-3,8H2,1H3
InChIKeyHHNDCOOURHFQGR-UHFFFAOYSA-N
XLogP1.26
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.31
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2,6-Difluoro-4-methyl-4-methylsulfanylcyclohexa-1,5-dien-1-yl)methanol
CID 163521374
S-[[6-(hydroxymethyl)cyclohexa-1,5-dien-1-yl]methyl] ethanethioate
CID 123902313
5,7-Dimethyl-2-methylsulfanyl-4-prop-1-en-2-ylocta-2,4,6-trien-1-ol
CID 123978448
Ethane;(4-methylsulfanylcyclohexa-1,3-dien-1-yl)methanol
CID 143175775
(3E)-6-methyl-2,5-dimethylidene-3-methylsulfanylhepta-3,6-dien-1-ol
CID 144804148
(6E)-6-(ethylsulfanylmethylidene)cyclohexa-2,4-dien-1-ol
CID 163637562
(6E)-2-methyl-4-methylidene-3-methylsulfanyldeca-2,6-dien-5-ol
CID 14709892
(4-Methylsulfanylcyclohexa-1,3-dien-1-yl)methanol
CID 143175776

Frequently Asked Questions

What is the IUPAC name of (3-methylsulfanyl-6,7-dihydronaphthalen-2-yl)methanol?
The IUPAC name of (3-methylsulfanyl-6,7-dihydronaphthalen-2-yl)methanol (CID 144526898) is (3-methylsulfanyl-6,7-dihydronaphthalen-2-yl)methanol.
What is the SMILES notation for (3-methylsulfanyl-6,7-dihydronaphthalen-2-yl)methanol?
The canonical SMILES for (3-methylsulfanyl-6,7-dihydronaphthalen-2-yl)methanol is CSc1cc2c(cc1CO)=CCCC=2.
What is the InChIKey of (3-methylsulfanyl-6,7-dihydronaphthalen-2-yl)methanol?
The InChIKey is HHNDCOOURHFQGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14OS/c1-14-12-7-10-5-3-2-4-9(10)6-11(12)8-13/h4-7,13H,2-3,8H2,1H3.
What are the key properties of (3-methylsulfanyl-6,7-dihydronaphthalen-2-yl)methanol?
(3-methylsulfanyl-6,7-dihydronaphthalen-2-yl)methanol has a molecular weight of 206.31 g/mol, XLogP of 1.26, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylsulfanyl-6,7-dihydronaphthalen-2-yl)methanol is sourced from PubChem (CID 144526898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).