3-decylsulfanyl-1-(4-fluorophenyl)propan-1-ol

C19H31FOS — CID 10471632

IUPAC3-decylsulfanyl-1-(4-fluorophenyl)propan-1-ol
SMILESCCCCCCCCCCSCCC(O)c1ccc(F)cc1
InChIInChI=1S/C19H31FOS/c1-2-3-4-5-6-7-8-9-15-22-16-14-19(21)17-10-12-18(20)13-11-17/h10-13,19,21H,2-9,14-16H2,1H3
InChIKeyPOUHCKJLRNLVGZ-UHFFFAOYSA-N
MW326.52 g/mol
LogP6.12
Rot. Bonds13

About 3-decylsulfanyl-1-(4-fluorophenyl)propan-1-ol

3-decylsulfanyl-1-(4-fluorophenyl)propan-1-ol (PubChem CID 10471632) has the molecular formula C19H31FOS and a molecular weight of 326.52 g/mol. Its IUPAC name is 3-decylsulfanyl-1-(4-fluorophenyl)propan-1-ol.

Molecular Properties

Compound Name3-decylsulfanyl-1-(4-fluorophenyl)propan-1-ol
PubChem CID10471632
Molecular FormulaC19H31FOS
Molecular Weight326.52 g/mol
Exact Mass326.21
IUPAC Name3-decylsulfanyl-1-(4-fluorophenyl)propan-1-ol
SMILESCCCCCCCCCCSCCC(O)c1ccc(F)cc1
InChIInChI=1S/C19H31FOS/c1-2-3-4-5-6-7-8-9-15-22-16-14-19(21)17-10-12-18(20)13-11-17/h10-13,19,21H,2-9,14-16H2,1H3
InChIKeyPOUHCKJLRNLVGZ-UHFFFAOYSA-N
XLogP6.12
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.52
LogP ≤ 56.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(4-fluorophenyl)dodecan-1-ol
CID 65426373
4-decylsulfanyl-1-(4-fluorophenyl)butan-1-amine;hydrochloride
CID 19996202
1-(4-fluorophenyl)-3-(heptylamino)propan-1-ol;hydrochloride
CID 19892143
4-(1-hydroxytridecyl)phenol
CID 57120972
1-(4-fluorophenyl)sulfanylheptan-2-ol
CID 66070965
(1R)-1-(4-chlorophenyl)undecan-1-ol
CID 98483140
(1R)-1-(4-chlorophenyl)heptan-1-ol
CID 94505087
(1S)-1-(4-bromophenyl)octan-1-ol
CID 124554353
1-(4-fluorophenyl)-3-pentylsulfanylpropan-1-one
CID 107752472
1-(4-fluorophenyl)-N-heptylsulfanylethanamine
CID 142359955
(1R)-1-phenyloctan-1-ol
CID 12794259
1-(4-fluorophenyl)-4-sulfanylbutan-1-ol
CID 142725948

Frequently Asked Questions

What is the IUPAC name of 3-decylsulfanyl-1-(4-fluorophenyl)propan-1-ol?
The IUPAC name of 3-decylsulfanyl-1-(4-fluorophenyl)propan-1-ol (CID 10471632) is 3-decylsulfanyl-1-(4-fluorophenyl)propan-1-ol.
What is the SMILES notation for 3-decylsulfanyl-1-(4-fluorophenyl)propan-1-ol?
The canonical SMILES for 3-decylsulfanyl-1-(4-fluorophenyl)propan-1-ol is CCCCCCCCCCSCCC(O)c1ccc(F)cc1.
What is the InChIKey of 3-decylsulfanyl-1-(4-fluorophenyl)propan-1-ol?
The InChIKey is POUHCKJLRNLVGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31FOS/c1-2-3-4-5-6-7-8-9-15-22-16-14-19(21)17-10-12-18(20)13-11-17/h10-13,19,21H,2-9,14-16H2,1H3.
What are the key properties of 3-decylsulfanyl-1-(4-fluorophenyl)propan-1-ol?
3-decylsulfanyl-1-(4-fluorophenyl)propan-1-ol has a molecular weight of 326.52 g/mol, XLogP of 6.12, 13 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-decylsulfanyl-1-(4-fluorophenyl)propan-1-ol is sourced from PubChem (CID 10471632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).