4-[dimethyl-(1-methylcyclohexa-2,4-dien-1-yl)-λ4-sulfanyl]phenol

C15H20OS — CID 174724938

IUPAC4-[dimethyl-(1-methylcyclohexa-2,4-dien-1-yl)-λ4-sulfanyl]phenol
SMILESCC1(S(C)(C)c2ccc(O)cc2)C=CC=CC1
InChIInChI=1S/C15H20OS/c1-15(11-5-4-6-12-15)17(2,3)14-9-7-13(16)8-10-14/h4-11,16H,12H2,1-3H3
InChIKeyMJXFQOZTKUQRDM-UHFFFAOYSA-N
MW248.39 g/mol
LogP4.09
Rot. Bonds2

About 4-[dimethyl-(1-methylcyclohexa-2,4-dien-1-yl)-λ4-sulfanyl]phenol

4-[dimethyl-(1-methylcyclohexa-2,4-dien-1-yl)-λ4-sulfanyl]phenol (PubChem CID 174724938) has the molecular formula C15H20OS and a molecular weight of 248.39 g/mol. Its IUPAC name is 4-[dimethyl-(1-methylcyclohexa-2,4-dien-1-yl)-λ4-sulfanyl]phenol.

Molecular Properties

Compound Name4-[dimethyl-(1-methylcyclohexa-2,4-dien-1-yl)-λ4-sulfanyl]phenol
PubChem CID174724938
Molecular FormulaC15H20OS
Molecular Weight248.39 g/mol
Exact Mass248.12
IUPAC Name4-[dimethyl-(1-methylcyclohexa-2,4-dien-1-yl)-λ4-sulfanyl]phenol
SMILESCC1(S(C)(C)c2ccc(O)cc2)C=CC=CC1
InChIInChI=1S/C15H20OS/c1-15(11-5-4-6-12-15)17(2,3)14-9-7-13(16)8-10-14/h4-11,16H,12H2,1-3H3
InChIKeyMJXFQOZTKUQRDM-UHFFFAOYSA-N
XLogP4.09
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.39
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

ethane;4-[1-(4-hydroxyphenyl)cyclohexa-2,4-dien-1-yl]phenol
CID 159421128
hepta-1,3,5-trien-3-yl-methyl-(1-methylcyclohexa-2,4-dien-1-yl)-phenyl-λ4-sulfane
CID 123298765
4-(2,2,6,6-tetramethylmorpholin-4-yl)sulfonylphenol
CID 102744853
(1-methylcyclohexa-2,4-dien-1-yl)-oxidoazanium
CID 141138802
5,5-dimethylcyclohexa-1,3-diene;1,2-xylene
CID 175128214
1,2-dimethylcyclohexa-2,4-dien-1-ol;phenol
CID 159742479
1-(1-methylcyclohexa-2,4-dien-1-yl)sulfonylpyrazol-4-amine
CID 141233025
1-(1-methylcyclohexa-2,4-dien-1-yl)sulfonyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
CID 141194742
(1-methylcyclohexa-2,4-dien-1-yl)-phenylmethanol
CID 71773988
(R)-[(1S)-1-methylcyclohexa-2,4-dien-1-yl]-phenylmethanol
CID 97049928
4-hydroxy-N-(1-methylcyclopentyl)benzenesulfonamide
CID 64687056
formic acid;4-methylsulfonylphenol
CID 175318493

Frequently Asked Questions

What is the IUPAC name of 4-[dimethyl-(1-methylcyclohexa-2,4-dien-1-yl)-λ4-sulfanyl]phenol?
The IUPAC name of 4-[dimethyl-(1-methylcyclohexa-2,4-dien-1-yl)-λ4-sulfanyl]phenol (CID 174724938) is 4-[dimethyl-(1-methylcyclohexa-2,4-dien-1-yl)-λ4-sulfanyl]phenol.
What is the SMILES notation for 4-[dimethyl-(1-methylcyclohexa-2,4-dien-1-yl)-λ4-sulfanyl]phenol?
The canonical SMILES for 4-[dimethyl-(1-methylcyclohexa-2,4-dien-1-yl)-λ4-sulfanyl]phenol is CC1(S(C)(C)c2ccc(O)cc2)C=CC=CC1.
What is the InChIKey of 4-[dimethyl-(1-methylcyclohexa-2,4-dien-1-yl)-λ4-sulfanyl]phenol?
The InChIKey is MJXFQOZTKUQRDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20OS/c1-15(11-5-4-6-12-15)17(2,3)14-9-7-13(16)8-10-14/h4-11,16H,12H2,1-3H3.
What are the key properties of 4-[dimethyl-(1-methylcyclohexa-2,4-dien-1-yl)-λ4-sulfanyl]phenol?
4-[dimethyl-(1-methylcyclohexa-2,4-dien-1-yl)-λ4-sulfanyl]phenol has a molecular weight of 248.39 g/mol, XLogP of 4.09, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[dimethyl-(1-methylcyclohexa-2,4-dien-1-yl)-λ4-sulfanyl]phenol is sourced from PubChem (CID 174724938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).