5-methylsulfanyl-1-phenyldodecan-2-ol

C19H32OS — CID 54417613

IUPAC5-methylsulfanyl-1-phenyldodecan-2-ol
SMILESCCCCCCCC(CCC(O)Cc1ccccc1)SC
InChIInChI=1S/C19H32OS/c1-3-4-5-6-10-13-19(21-2)15-14-18(20)16-17-11-8-7-9-12-17/h7-9,11-12,18-20H,3-6,10,13-16H2,1-2H3
InChIKeyYDBDDUNTTSMALX-UHFFFAOYSA-N
MW308.53 g/mol
LogP5.46
Rot. Bonds12

About 5-methylsulfanyl-1-phenyldodecan-2-ol

5-methylsulfanyl-1-phenyldodecan-2-ol (PubChem CID 54417613) has the molecular formula C19H32OS and a molecular weight of 308.53 g/mol. Its IUPAC name is 5-methylsulfanyl-1-phenyldodecan-2-ol.

Molecular Properties

Compound Name5-methylsulfanyl-1-phenyldodecan-2-ol
PubChem CID54417613
Molecular FormulaC19H32OS
Molecular Weight308.53 g/mol
Exact Mass308.22
IUPAC Name5-methylsulfanyl-1-phenyldodecan-2-ol
SMILESCCCCCCCC(CCC(O)Cc1ccccc1)SC
InChIInChI=1S/C19H32OS/c1-3-4-5-6-10-13-19(21-2)15-14-18(20)16-17-11-8-7-9-12-17/h7-9,11-12,18-20H,3-6,10,13-16H2,1-2H3
InChIKeyYDBDDUNTTSMALX-UHFFFAOYSA-N
XLogP5.46
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.53
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 5-methylsulfanyl-1-phenyldodecan-2-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

(2S,5S)-1-phenylpentadecane-2,5-diol
CID 98091747
7-octadecyl-1-phenylpentacosan-2-ol
CID 162497246
1,6-diphenylhexane-2,5-diol
CID 15072586
hydrogen peroxide;2-methyldodecylbenzene
CID 159185106
2-benzyltetradecylbenzene
CID 22920205
1-(4-methylphenyl)octan-2-ol
CID 62607878
(2S,3R)-2-amino-1-phenyloctadecan-3-ol
CID 118735812
(2S,3S)-2-benzyl-3-decylbutanedioic acid
CID 59112992
2-methyl-1-phenyltetradecan-3-ol;hydrate
CID 173347610
2-methylheptylbenzene;2-methyloctylbenzene
CID 174049605
2-benzyloctadecan-1-ol
CID 67814123
1-(benzylamino)decan-2-ol
CID 42614665

Frequently Asked Questions

What is the IUPAC name of 5-methylsulfanyl-1-phenyldodecan-2-ol?
The IUPAC name of 5-methylsulfanyl-1-phenyldodecan-2-ol (CID 54417613) is 5-methylsulfanyl-1-phenyldodecan-2-ol.
What is the SMILES notation for 5-methylsulfanyl-1-phenyldodecan-2-ol?
The canonical SMILES for 5-methylsulfanyl-1-phenyldodecan-2-ol is CCCCCCCC(CCC(O)Cc1ccccc1)SC.
What is the InChIKey of 5-methylsulfanyl-1-phenyldodecan-2-ol?
The InChIKey is YDBDDUNTTSMALX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32OS/c1-3-4-5-6-10-13-19(21-2)15-14-18(20)16-17-11-8-7-9-12-17/h7-9,11-12,18-20H,3-6,10,13-16H2,1-2H3.
What are the key properties of 5-methylsulfanyl-1-phenyldodecan-2-ol?
5-methylsulfanyl-1-phenyldodecan-2-ol has a molecular weight of 308.53 g/mol, XLogP of 5.46, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylsulfanyl-1-phenyldodecan-2-ol is sourced from PubChem (CID 54417613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).