1-(4-fluorophenyl)dodecan-1-ol

C18H29FO — CID 65426373

IUPAC1-(4-fluorophenyl)dodecan-1-ol
SMILESCCCCCCCCCCCC(O)c1ccc(F)cc1
InChIInChI=1S/C18H29FO/c1-2-3-4-5-6-7-8-9-10-11-18(20)16-12-14-17(19)15-13-16/h12-15,18,20H,2-11H2,1H3
InChIKeyPCDIJASGVSHDGP-UHFFFAOYSA-N
MW280.43 g/mol
LogP5.78
Rot. Bonds11

About 1-(4-fluorophenyl)dodecan-1-ol

1-(4-fluorophenyl)dodecan-1-ol (PubChem CID 65426373) has the molecular formula C18H29FO and a molecular weight of 280.43 g/mol. Its IUPAC name is 1-(4-fluorophenyl)dodecan-1-ol.

Molecular Properties

Compound Name1-(4-fluorophenyl)dodecan-1-ol
PubChem CID65426373
Molecular FormulaC18H29FO
Molecular Weight280.43 g/mol
Exact Mass280.22
IUPAC Name1-(4-fluorophenyl)dodecan-1-ol
SMILESCCCCCCCCCCCC(O)c1ccc(F)cc1
InChIInChI=1S/C18H29FO/c1-2-3-4-5-6-7-8-9-10-11-18(20)16-12-14-17(19)15-13-16/h12-15,18,20H,2-11H2,1H3
InChIKeyPCDIJASGVSHDGP-UHFFFAOYSA-N
XLogP5.78
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.43
LogP ≤ 55.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-(4-fluorophenyl)dodecan-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

3-decylsulfanyl-1-(4-fluorophenyl)propan-1-ol
CID 10471632
1-(4-fluorophenyl)-3-(heptylamino)propan-1-ol;hydrochloride
CID 19892143
4-(1-hydroxytridecyl)phenol
CID 57120972
(1R)-1-(4-chlorophenyl)heptan-1-ol
CID 94505087
(1R)-1-(4-chlorophenyl)undecan-1-ol
CID 98483140
(1S)-1-(4-bromophenyl)octan-1-ol
CID 124554353
(1R)-1-phenyloctan-1-ol
CID 12794259
1-(1-bromododecyl)-4-fluorobenzene
CID 65427740
1-(4-fluorophenyl)undecylhydrazine
CID 105192861
(1R)-1-(4-bromophenyl)hexan-1-ol
CID 57438971
1-(3,5-difluorophenyl)hexan-1-ol
CID 62608438
(1S)-1-(4-methoxyphenyl)nonan-1-ol
CID 15156207

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)dodecan-1-ol?
The IUPAC name of 1-(4-fluorophenyl)dodecan-1-ol (CID 65426373) is 1-(4-fluorophenyl)dodecan-1-ol.
What is the SMILES notation for 1-(4-fluorophenyl)dodecan-1-ol?
The canonical SMILES for 1-(4-fluorophenyl)dodecan-1-ol is CCCCCCCCCCCC(O)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)dodecan-1-ol?
The InChIKey is PCDIJASGVSHDGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29FO/c1-2-3-4-5-6-7-8-9-10-11-18(20)16-12-14-17(19)15-13-16/h12-15,18,20H,2-11H2,1H3.
What are the key properties of 1-(4-fluorophenyl)dodecan-1-ol?
1-(4-fluorophenyl)dodecan-1-ol has a molecular weight of 280.43 g/mol, XLogP of 5.78, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)dodecan-1-ol is sourced from PubChem (CID 65426373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).