1-(1,3-dithiolan-2-ylidene)-1-(4-methoxyphenyl)propan-2-ol

C13H16O2S2 — CID 53260357

IUPAC1-(1,3-dithiolan-2-ylidene)-1-(4-methoxyphenyl)propan-2-ol
SMILESCOc1ccc(C(=C2SCCS2)C(C)O)cc1
InChIInChI=1S/C13H16O2S2/c1-9(14)12(13-16-7-8-17-13)10-3-5-11(15-2)6-4-10/h3-6,9,14H,7-8H2,1-2H3
InChIKeyRVYYCMOIDWIDMF-UHFFFAOYSA-N
MW268.40 g/mol
LogP3.22
Rot. Bonds3

About 1-(1,3-dithiolan-2-ylidene)-1-(4-methoxyphenyl)propan-2-ol

1-(1,3-dithiolan-2-ylidene)-1-(4-methoxyphenyl)propan-2-ol (PubChem CID 53260357) has the molecular formula C13H16O2S2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 1-(1,3-dithiolan-2-ylidene)-1-(4-methoxyphenyl)propan-2-ol.

Molecular Properties

Compound Name1-(1,3-dithiolan-2-ylidene)-1-(4-methoxyphenyl)propan-2-ol
PubChem CID53260357
Molecular FormulaC13H16O2S2
Molecular Weight268.40 g/mol
Exact Mass268.06
IUPAC Name1-(1,3-dithiolan-2-ylidene)-1-(4-methoxyphenyl)propan-2-ol
SMILESCOc1ccc(C(=C2SCCS2)C(C)O)cc1
InChIInChI=1S/C13H16O2S2/c1-9(14)12(13-16-7-8-17-13)10-3-5-11(15-2)6-4-10/h3-6,9,14H,7-8H2,1-2H3
InChIKeyRVYYCMOIDWIDMF-UHFFFAOYSA-N
XLogP3.22
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1,3-dithian-2-ylidene)-2-(4-methoxyphenyl)acetonitrile
CID 132561882
1-(4-methoxyphenyl)-2-piperidin-1-ylpropan-1-one
CID 43227136
1-methoxy-4-[(3R,4S)-5-(4-methoxyphenyl)-3,4-dimethylhexa-1,5-dien-2-yl]benzene
CID 100960960
1-hydroxyethyl 4-methoxybenzoate
CID 67719638
CID 12714057
CID 12714057
[2-(4-methoxyphenyl)-2-oxoethyl] 2-hydroxypropanoate
CID 70980265
CID 175713586
CID 175713586
2-(4-methoxyphenyl)-2-oxoacetic acid;tris(propan-2-ol);titanium
CID 10573266
(2S)-1-(4-methoxyphenyl)-2-(methylamino)propan-1-one
CID 51371469
bis(4-methoxyphenyl)methanone;N-[bis(4-methoxyphenyl)methyl]propan-2-amine
CID 160668964
sodium;2,2-dihydroxy-1-(4-methoxyphenyl)ethanone;hydride
CID 173420090
(2S,3R)-3-(4-methoxyphenyl)butan-2-ol
CID 13481815

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dithiolan-2-ylidene)-1-(4-methoxyphenyl)propan-2-ol?
The IUPAC name of 1-(1,3-dithiolan-2-ylidene)-1-(4-methoxyphenyl)propan-2-ol (CID 53260357) is 1-(1,3-dithiolan-2-ylidene)-1-(4-methoxyphenyl)propan-2-ol.
What is the SMILES notation for 1-(1,3-dithiolan-2-ylidene)-1-(4-methoxyphenyl)propan-2-ol?
The canonical SMILES for 1-(1,3-dithiolan-2-ylidene)-1-(4-methoxyphenyl)propan-2-ol is COc1ccc(C(=C2SCCS2)C(C)O)cc1.
What is the InChIKey of 1-(1,3-dithiolan-2-ylidene)-1-(4-methoxyphenyl)propan-2-ol?
The InChIKey is RVYYCMOIDWIDMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O2S2/c1-9(14)12(13-16-7-8-17-13)10-3-5-11(15-2)6-4-10/h3-6,9,14H,7-8H2,1-2H3.
What are the key properties of 1-(1,3-dithiolan-2-ylidene)-1-(4-methoxyphenyl)propan-2-ol?
1-(1,3-dithiolan-2-ylidene)-1-(4-methoxyphenyl)propan-2-ol has a molecular weight of 268.40 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dithiolan-2-ylidene)-1-(4-methoxyphenyl)propan-2-ol is sourced from PubChem (CID 53260357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).