1-methoxy-3-(5-methoxycyclohexa-1,3-dien-1-yl)sulfanylbenzene

C14H16O2S — CID 123886543

IUPAC1-methoxy-3-(5-methoxycyclohexa-1,3-dien-1-yl)sulfanylbenzene
SMILESCOc1cccc(SC2=CC=CC(OC)C2)c1
InChIInChI=1S/C14H16O2S/c1-15-11-5-3-7-13(9-11)17-14-8-4-6-12(10-14)16-2/h3-9,12H,10H2,1-2H3
InChIKeyYVRRPTUDIRRTGR-UHFFFAOYSA-N
MW248.35 g/mol
LogP3.65
Rot. Bonds4

About 1-methoxy-3-(5-methoxycyclohexa-1,3-dien-1-yl)sulfanylbenzene

1-methoxy-3-(5-methoxycyclohexa-1,3-dien-1-yl)sulfanylbenzene (PubChem CID 123886543) has the molecular formula C14H16O2S and a molecular weight of 248.35 g/mol. Its IUPAC name is 1-methoxy-3-(5-methoxycyclohexa-1,3-dien-1-yl)sulfanylbenzene.

Molecular Properties

Compound Name1-methoxy-3-(5-methoxycyclohexa-1,3-dien-1-yl)sulfanylbenzene
PubChem CID123886543
Molecular FormulaC14H16O2S
Molecular Weight248.35 g/mol
Exact Mass248.09
IUPAC Name1-methoxy-3-(5-methoxycyclohexa-1,3-dien-1-yl)sulfanylbenzene
SMILESCOc1cccc(SC2=CC=CC(OC)C2)c1
InChIInChI=1S/C14H16O2S/c1-15-11-5-3-7-13(9-11)17-14-8-4-6-12(10-14)16-2/h3-9,12H,10H2,1-2H3
InChIKeyYVRRPTUDIRRTGR-UHFFFAOYSA-N
XLogP3.65
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-methoxy-4-(3-methoxyphenyl)sulfanyl-1-methylbenzene
CID 18738972
(3R)-3-(3-methoxyphenyl)sulfanylcyclohexan-1-one
CID 102024528
N-(1-azabicyclo[2.2.2]octan-3-yl)-4-(3-methoxyphenyl)sulfanylbenzamide
CID 22045891
6-(3-methoxyphenyl)sulfanylquinazoline-2,4-diamine
CID 626823
N-(2-azabicyclo[2.2.1]heptan-6-yl)-4-(3-methoxyphenyl)sulfanylbenzamide
CID 22573441
3-hydroxy-6-(3-methoxyphenyl)sulfanyl-1-methyl-3H-indol-2-one
CID 81302079
2-[5-(3-methoxyphenyl)sulfanyl-2-methyl-1H-indol-3-yl]ethanamine
CID 142211142
azane;1,3-dimethoxybenzene
CID 70210283
CID 172849383
CID 172849383
2-ethoxy-4-(3-methoxyphenyl)sulfanylaniline
CID 63675963
tris(1,3-dimethoxybenzene);phosphane
CID 160853878
1-[2-(3-methoxyphenyl)sulfanylphenyl]ethanol
CID 15115029

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-3-(5-methoxycyclohexa-1,3-dien-1-yl)sulfanylbenzene?
The IUPAC name of 1-methoxy-3-(5-methoxycyclohexa-1,3-dien-1-yl)sulfanylbenzene (CID 123886543) is 1-methoxy-3-(5-methoxycyclohexa-1,3-dien-1-yl)sulfanylbenzene.
What is the SMILES notation for 1-methoxy-3-(5-methoxycyclohexa-1,3-dien-1-yl)sulfanylbenzene?
The canonical SMILES for 1-methoxy-3-(5-methoxycyclohexa-1,3-dien-1-yl)sulfanylbenzene is COc1cccc(SC2=CC=CC(OC)C2)c1.
What is the InChIKey of 1-methoxy-3-(5-methoxycyclohexa-1,3-dien-1-yl)sulfanylbenzene?
The InChIKey is YVRRPTUDIRRTGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O2S/c1-15-11-5-3-7-13(9-11)17-14-8-4-6-12(10-14)16-2/h3-9,12H,10H2,1-2H3.
What are the key properties of 1-methoxy-3-(5-methoxycyclohexa-1,3-dien-1-yl)sulfanylbenzene?
1-methoxy-3-(5-methoxycyclohexa-1,3-dien-1-yl)sulfanylbenzene has a molecular weight of 248.35 g/mol, XLogP of 3.65, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-3-(5-methoxycyclohexa-1,3-dien-1-yl)sulfanylbenzene is sourced from PubChem (CID 123886543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).