2-(2-phenylsulfanylethyl)-2,3-dihydro-1H-inden-1-ol

C17H18OS — CID 79227500

IUPAC2-(2-phenylsulfanylethyl)-2,3-dihydro-1H-inden-1-ol
SMILESOC1c2ccccc2CC1CCSc1ccccc1
InChIInChI=1S/C17H18OS/c18-17-14(12-13-6-4-5-9-16(13)17)10-11-19-15-7-2-1-3-8-15/h1-9,14,17-18H,10-12H2
InChIKeyCBDRTLJWWBIAPP-UHFFFAOYSA-N
MW270.40 g/mol
LogP4.07
Rot. Bonds4

About 2-(2-phenylsulfanylethyl)-2,3-dihydro-1H-inden-1-ol

2-(2-phenylsulfanylethyl)-2,3-dihydro-1H-inden-1-ol (PubChem CID 79227500) has the molecular formula C17H18OS and a molecular weight of 270.40 g/mol. Its IUPAC name is 2-(2-phenylsulfanylethyl)-2,3-dihydro-1H-inden-1-ol.

Molecular Properties

Compound Name2-(2-phenylsulfanylethyl)-2,3-dihydro-1H-inden-1-ol
PubChem CID79227500
Molecular FormulaC17H18OS
Molecular Weight270.40 g/mol
Exact Mass270.11
IUPAC Name2-(2-phenylsulfanylethyl)-2,3-dihydro-1H-inden-1-ol
SMILESOC1c2ccccc2CC1CCSc1ccccc1
InChIInChI=1S/C17H18OS/c18-17-14(12-13-6-4-5-9-16(13)17)10-11-19-15-7-2-1-3-8-15/h1-9,14,17-18H,10-12H2
InChIKeyCBDRTLJWWBIAPP-UHFFFAOYSA-N
XLogP4.07
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(2-phenylsulfanylethyl)-2,3-dihydro-1H-inden-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-phenylsulfanylethyl)cyclohexan-1-ol
CID 79228950
2-(2-phenylsulfanylethyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79228619
N-methyl-2-(2-phenylsulfanylethyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79228511
2-(4,4,4-trifluorobutyl)-2,3-dihydro-1H-inden-1-ol
CID 113327265
(1S)-2,3-dihydro-1H-indene-1,2-diol
CID 68820122
(1R,2R,3R)-2-bromo-3-(bromomethyl)-1,2,3,4-tetrahydronaphthalen-1-ol
CID 102321992
3-bromo-4-(2-phenylsulfanylethyl)thiolane
CID 83191168
1-bromo-2-(2-phenylsulfanylethyl)cycloheptane
CID 79228964
2-(2-ethylbutyl)-2,3-dihydro-1H-inden-1-ol
CID 82930706
(2R)-2-(pyrrolidin-1-ylmethyl)-2,3-dihydro-1H-inden-1-ol
CID 58393646
(1S,2S)-2-amino-2,3-dihydro-1H-inden-1-ol;hydrochloride
CID 71776086
4-(2-phenylsulfanylethyl)thiolan-3-amine
CID 83196484

Frequently Asked Questions

What is the IUPAC name of 2-(2-phenylsulfanylethyl)-2,3-dihydro-1H-inden-1-ol?
The IUPAC name of 2-(2-phenylsulfanylethyl)-2,3-dihydro-1H-inden-1-ol (CID 79227500) is 2-(2-phenylsulfanylethyl)-2,3-dihydro-1H-inden-1-ol.
What is the SMILES notation for 2-(2-phenylsulfanylethyl)-2,3-dihydro-1H-inden-1-ol?
The canonical SMILES for 2-(2-phenylsulfanylethyl)-2,3-dihydro-1H-inden-1-ol is OC1c2ccccc2CC1CCSc1ccccc1.
What is the InChIKey of 2-(2-phenylsulfanylethyl)-2,3-dihydro-1H-inden-1-ol?
The InChIKey is CBDRTLJWWBIAPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18OS/c18-17-14(12-13-6-4-5-9-16(13)17)10-11-19-15-7-2-1-3-8-15/h1-9,14,17-18H,10-12H2.
What are the key properties of 2-(2-phenylsulfanylethyl)-2,3-dihydro-1H-inden-1-ol?
2-(2-phenylsulfanylethyl)-2,3-dihydro-1H-inden-1-ol has a molecular weight of 270.40 g/mol, XLogP of 4.07, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenylsulfanylethyl)-2,3-dihydro-1H-inden-1-ol is sourced from PubChem (CID 79227500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).