1-methoxy-3-(3-methoxyphenyl)benzene;sulfane

C14H16O2S — CID 175169762

IUPAC1-methoxy-3-(3-methoxyphenyl)benzene;sulfane
SMILESCOc1cccc(-c2cccc(OC)c2)c1.S
InChIInChI=1S/C14H14O2.H2S/c1-15-13-7-3-5-11(9-13)12-6-4-8-14(10-12)16-2;/h3-10H,1-2H3;1H2
InChIKeyKTOAKQPNSQSGMW-UHFFFAOYSA-N
MW248.35 g/mol
LogP3.48
Rot. Bonds3

About 1-methoxy-3-(3-methoxyphenyl)benzene;sulfane

1-methoxy-3-(3-methoxyphenyl)benzene;sulfane (PubChem CID 175169762) has the molecular formula C14H16O2S and a molecular weight of 248.35 g/mol. Its IUPAC name is 1-methoxy-3-(3-methoxyphenyl)benzene;sulfane.

Molecular Properties

Compound Name1-methoxy-3-(3-methoxyphenyl)benzene;sulfane
PubChem CID175169762
Molecular FormulaC14H16O2S
Molecular Weight248.35 g/mol
Exact Mass248.09
IUPAC Name1-methoxy-3-(3-methoxyphenyl)benzene;sulfane
SMILESCOc1cccc(-c2cccc(OC)c2)c1.S
InChIInChI=1S/C14H14O2.H2S/c1-15-13-7-3-5-11(9-13)12-6-4-8-14(10-12)16-2;/h3-10H,1-2H3;1H2
InChIKeyKTOAKQPNSQSGMW-UHFFFAOYSA-N
XLogP3.48
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

azane;1-methoxy-3-(3-methoxyphenyl)benzene
CID 174719266
1-methoxy-3-[4-(4-methoxyphenyl)phenyl]benzene
CID 25138852
1-methoxy-4-[3-(3-methoxyphenyl)phenyl]benzene
CID 66934064
1-bromo-3-(3-methoxyphenyl)benzene
CID 2757034
ethane;1-methoxy-3-(3-methylphenyl)benzene
CID 142945497
2,3,5,6-tetrakis(3-methoxyphenyl)pyrazine
CID 132941107
1-methoxy-3-(3-propan-2-ylphenyl)benzene
CID 23110868
tris(1,3-dimethoxybenzene);phosphane
CID 160853878
azane;1,3-dimethoxybenzene
CID 70210283
CID 172849383
CID 172849383
[3-(3-methoxyphenyl)phenyl]boronic acid
CID 23005394
4-(3-methoxyphenyl)pyridine-2,6-diamine
CID 18313645

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-3-(3-methoxyphenyl)benzene;sulfane?
The IUPAC name of 1-methoxy-3-(3-methoxyphenyl)benzene;sulfane (CID 175169762) is 1-methoxy-3-(3-methoxyphenyl)benzene;sulfane.
What is the SMILES notation for 1-methoxy-3-(3-methoxyphenyl)benzene;sulfane?
The canonical SMILES for 1-methoxy-3-(3-methoxyphenyl)benzene;sulfane is COc1cccc(-c2cccc(OC)c2)c1.S.
What is the InChIKey of 1-methoxy-3-(3-methoxyphenyl)benzene;sulfane?
The InChIKey is KTOAKQPNSQSGMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O2.H2S/c1-15-13-7-3-5-11(9-13)12-6-4-8-14(10-12)16-2;/h3-10H,1-2H3;1H2.
What are the key properties of 1-methoxy-3-(3-methoxyphenyl)benzene;sulfane?
1-methoxy-3-(3-methoxyphenyl)benzene;sulfane has a molecular weight of 248.35 g/mol, XLogP of 3.48, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-3-(3-methoxyphenyl)benzene;sulfane is sourced from PubChem (CID 175169762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).