2-[1-[4-(3,4-dimethoxyphenoxy)phenyl]ethylidene]-1,3-dithiane

C20H22O3S2 — CID 14674057

IUPAC2-[1-[4-(3,4-dimethoxyphenoxy)phenyl]ethylidene]-1,3-dithiane
SMILESCOc1ccc(Oc2ccc(C(C)=C3SCCCS3)cc2)cc1OC
InChIInChI=1S/C20H22O3S2/c1-14(20-24-11-4-12-25-20)15-5-7-16(8-6-15)23-17-9-10-18(21-2)19(13-17)22-3/h5-10,13H,4,11-12H2,1-3H3
InChIKeySQRSRZQAYIGNOR-UHFFFAOYSA-N
MW374.53 g/mol
LogP6.05
Rot. Bonds5

About 2-[1-[4-(3,4-dimethoxyphenoxy)phenyl]ethylidene]-1,3-dithiane

2-[1-[4-(3,4-dimethoxyphenoxy)phenyl]ethylidene]-1,3-dithiane (PubChem CID 14674057) has the molecular formula C20H22O3S2 and a molecular weight of 374.53 g/mol. Its IUPAC name is 2-[1-[4-(3,4-dimethoxyphenoxy)phenyl]ethylidene]-1,3-dithiane.

Molecular Properties

Compound Name2-[1-[4-(3,4-dimethoxyphenoxy)phenyl]ethylidene]-1,3-dithiane
PubChem CID14674057
Molecular FormulaC20H22O3S2
Molecular Weight374.53 g/mol
Exact Mass374.10
IUPAC Name2-[1-[4-(3,4-dimethoxyphenoxy)phenyl]ethylidene]-1,3-dithiane
SMILESCOc1ccc(Oc2ccc(C(C)=C3SCCCS3)cc2)cc1OC
InChIInChI=1S/C20H22O3S2/c1-14(20-24-11-4-12-25-20)15-5-7-16(8-6-15)23-17-9-10-18(21-2)19(13-17)22-3/h5-10,13H,4,11-12H2,1-3H3
InChIKeySQRSRZQAYIGNOR-UHFFFAOYSA-N
XLogP6.05
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.53
LogP ≤ 56.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1,3-dithian-2-ylidene)-2-(4-methoxyphenyl)acetonitrile
CID 132561882
(3,4-dimethoxyphenyl) acetate
CID 593001
1,2-dimethoxy-4-(5-methoxy-2-methylphenoxy)benzene
CID 123959246
5-(4-carboxyphenoxy)-2-methoxybenzoic acid
CID 162997010
5-[4-(3,4-dimethoxyphenoxy)benzenecarboximidoyl]pyrimidine-4,6-diamine
CID 145184743
1-[4-(4-methoxy-3-nitrophenoxy)phenyl]ethanone
CID 103201761
2-(3,4-dimethoxyphenoxy)-4-methoxyaniline
CID 123638335
2-(3,4-dimethoxyphenoxy)-1,3-thiazole
CID 141204086
tris(3,4-dimethoxyphenyl) borate
CID 67306182
1,4-dimethoxy-2-(3-methoxyphenoxy)benzene
CID 95561214
1-(3,4-dimethoxyphenyl)-N-[(E)-1-(4-phenoxyphenyl)ethylideneamino]methanamine
CID 133169350
4-ethenyl-2-methoxy-1-(4-prop-1-en-2-ylphenoxy)benzene
CID 134533362

Frequently Asked Questions

What is the IUPAC name of 2-[1-[4-(3,4-dimethoxyphenoxy)phenyl]ethylidene]-1,3-dithiane?
The IUPAC name of 2-[1-[4-(3,4-dimethoxyphenoxy)phenyl]ethylidene]-1,3-dithiane (CID 14674057) is 2-[1-[4-(3,4-dimethoxyphenoxy)phenyl]ethylidene]-1,3-dithiane.
What is the SMILES notation for 2-[1-[4-(3,4-dimethoxyphenoxy)phenyl]ethylidene]-1,3-dithiane?
The canonical SMILES for 2-[1-[4-(3,4-dimethoxyphenoxy)phenyl]ethylidene]-1,3-dithiane is COc1ccc(Oc2ccc(C(C)=C3SCCCS3)cc2)cc1OC.
What is the InChIKey of 2-[1-[4-(3,4-dimethoxyphenoxy)phenyl]ethylidene]-1,3-dithiane?
The InChIKey is SQRSRZQAYIGNOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22O3S2/c1-14(20-24-11-4-12-25-20)15-5-7-16(8-6-15)23-17-9-10-18(21-2)19(13-17)22-3/h5-10,13H,4,11-12H2,1-3H3.
What are the key properties of 2-[1-[4-(3,4-dimethoxyphenoxy)phenyl]ethylidene]-1,3-dithiane?
2-[1-[4-(3,4-dimethoxyphenoxy)phenyl]ethylidene]-1,3-dithiane has a molecular weight of 374.53 g/mol, XLogP of 6.05, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[4-(3,4-dimethoxyphenoxy)phenyl]ethylidene]-1,3-dithiane is sourced from PubChem (CID 14674057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).