(1S)-1-[2-(4-methylphenyl)sulfanylcyclopenta-2,4-dien-1-yl]ethanol

C14H16OS — CID 135001261

IUPAC(1S)-1-[2-(4-methylphenyl)sulfanylcyclopenta-2,4-dien-1-yl]ethanol
SMILESCc1ccc(SC2=CC=CC2[C@H](C)O)cc1
InChIInChI=1S/C14H16OS/c1-10-6-8-12(9-7-10)16-14-5-3-4-13(14)11(2)15/h3-9,11,13,15H,1-2H3/t11-,13?/m0/s1
InChIKeyKVYRGHFGUYMZOZ-AMGKYWFPSA-N
MW232.35 g/mol
LogP3.54
Rot. Bonds3

About (1S)-1-[2-(4-methylphenyl)sulfanylcyclopenta-2,4-dien-1-yl]ethanol

(1S)-1-[2-(4-methylphenyl)sulfanylcyclopenta-2,4-dien-1-yl]ethanol (PubChem CID 135001261) has the molecular formula C14H16OS and a molecular weight of 232.35 g/mol. Its IUPAC name is (1S)-1-[2-(4-methylphenyl)sulfanylcyclopenta-2,4-dien-1-yl]ethanol.

Molecular Properties

Compound Name(1S)-1-[2-(4-methylphenyl)sulfanylcyclopenta-2,4-dien-1-yl]ethanol
PubChem CID135001261
Molecular FormulaC14H16OS
Molecular Weight232.35 g/mol
Exact Mass232.09
IUPAC Name(1S)-1-[2-(4-methylphenyl)sulfanylcyclopenta-2,4-dien-1-yl]ethanol
SMILESCc1ccc(SC2=CC=CC2[C@H](C)O)cc1
InChIInChI=1S/C14H16OS/c1-10-6-8-12(9-7-10)16-14-5-3-4-13(14)11(2)15/h3-9,11,13,15H,1-2H3/t11-,13?/m0/s1
InChIKeyKVYRGHFGUYMZOZ-AMGKYWFPSA-N
XLogP3.54
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.35
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;1-methyl-4-(4-methylphenyl)sulfanylbenzene
CID 123790982
(7R)-7-methyl-3-[(4-methylphenyl)disulfanyl]cyclohepta-1,3,5-triene
CID 130413529
3-(4-methylphenyl)sulfanylbutan-2-ol
CID 14194463
1-(6-methyl-1H-inden-1-yl)ethanol
CID 90078898
4-(4-methylphenyl)sulfanylbutan-2-ol
CID 10352661
(2R,3R)-1,4-bis[(4-methylphenyl)disulfanyl]butane-2,3-diol
CID 14063917
1-[2-fluoro-6-(4-methylphenyl)sulfanylphenyl]ethanol
CID 63812916
1-[3-bromo-4-(4-methylphenyl)sulfanylphenyl]ethanol
CID 63814435
3-fluoro-4-(4-methylphenyl)sulfanylbenzoic acid
CID 63515078
(1R)-1-[2-[[5-[(1R)-1-(dimethylamino)ethyl]cyclopenta-1,3-dien-1-yl]disulfanyl]cyclopenta-2,4-dien-1-yl]-N,N-dimethylethanamine
CID 102187363
(2S)-3-methyl-1-(4-methylphenyl)sulfanylbutan-2-ol
CID 11401570
7-(4-methylphenyl)sulfanylcyclohepta-1,3,5-triene
CID 86020256

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[2-(4-methylphenyl)sulfanylcyclopenta-2,4-dien-1-yl]ethanol?
The IUPAC name of (1S)-1-[2-(4-methylphenyl)sulfanylcyclopenta-2,4-dien-1-yl]ethanol (CID 135001261) is (1S)-1-[2-(4-methylphenyl)sulfanylcyclopenta-2,4-dien-1-yl]ethanol.
What is the SMILES notation for (1S)-1-[2-(4-methylphenyl)sulfanylcyclopenta-2,4-dien-1-yl]ethanol?
The canonical SMILES for (1S)-1-[2-(4-methylphenyl)sulfanylcyclopenta-2,4-dien-1-yl]ethanol is Cc1ccc(SC2=CC=CC2[C@H](C)O)cc1.
What is the InChIKey of (1S)-1-[2-(4-methylphenyl)sulfanylcyclopenta-2,4-dien-1-yl]ethanol?
The InChIKey is KVYRGHFGUYMZOZ-AMGKYWFPSA-N. The full InChI is InChI=1S/C14H16OS/c1-10-6-8-12(9-7-10)16-14-5-3-4-13(14)11(2)15/h3-9,11,13,15H,1-2H3/t11-,13?/m0/s1.
What are the key properties of (1S)-1-[2-(4-methylphenyl)sulfanylcyclopenta-2,4-dien-1-yl]ethanol?
(1S)-1-[2-(4-methylphenyl)sulfanylcyclopenta-2,4-dien-1-yl]ethanol has a molecular weight of 232.35 g/mol, XLogP of 3.54, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[2-(4-methylphenyl)sulfanylcyclopenta-2,4-dien-1-yl]ethanol is sourced from PubChem (CID 135001261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).