1-(2-fluoro-5-methylphenyl)undecan-1-ol

C18H29FO — CID 115789089

IUPAC1-(2-fluoro-5-methylphenyl)undecan-1-ol
SMILESCCCCCCCCCCC(O)c1cc(C)ccc1F
InChIInChI=1S/C18H29FO/c1-3-4-5-6-7-8-9-10-11-18(20)16-14-15(2)12-13-17(16)19/h12-14,18,20H,3-11H2,1-2H3
InChIKeySKVTZVZGOXKXFQ-UHFFFAOYSA-N
MW280.43 g/mol
LogP5.70
Rot. Bonds10

About 1-(2-fluoro-5-methylphenyl)undecan-1-ol

1-(2-fluoro-5-methylphenyl)undecan-1-ol (PubChem CID 115789089) has the molecular formula C18H29FO and a molecular weight of 280.43 g/mol. Its IUPAC name is 1-(2-fluoro-5-methylphenyl)undecan-1-ol.

Molecular Properties

Compound Name1-(2-fluoro-5-methylphenyl)undecan-1-ol
PubChem CID115789089
Molecular FormulaC18H29FO
Molecular Weight280.43 g/mol
Exact Mass280.22
IUPAC Name1-(2-fluoro-5-methylphenyl)undecan-1-ol
SMILESCCCCCCCCCCC(O)c1cc(C)ccc1F
InChIInChI=1S/C18H29FO/c1-3-4-5-6-7-8-9-10-11-18(20)16-14-15(2)12-13-17(16)19/h12-14,18,20H,3-11H2,1-2H3
InChIKeySKVTZVZGOXKXFQ-UHFFFAOYSA-N
XLogP5.70
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.43
LogP ≤ 55.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-[(1R)-1-hydroxyundecyl]-4-methylphenol
CID 98151788
1-(2-fluoro-5-methylphenyl)-N-methylhexan-1-amine
CID 115837280
4-ethylsulfonyl-1-(2-fluoro-5-methylphenyl)butan-1-ol
CID 115803626
1-(2-fluoro-4-methylphenyl)pentan-1-ol
CID 115783255
1-(2-methoxy-5-methylphenyl)decan-1-ol
CID 65427724
1-(2-fluoro-5-methylphenyl)-4-methylsulfonylbutan-1-ol
CID 115780077
1-(2-fluoro-5-methylphenyl)-3,3-dimethylbutan-1-ol
CID 63891500
1-(2-fluoro-5-methylphenyl)-2-propylsulfanylethanol
CID 65129595
1-(2-fluoro-5-methylphenyl)-3-methylbutan-1-ol
CID 62789444
1-(5-chloro-2-methylphenyl)decan-1-ol
CID 115783029
2-fluoro-1,4-dimethylbenzene;bis(nonane)
CID 143987706
1-(2-fluoro-4,5-dimethoxyphenyl)heptan-1-ol
CID 114753416

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-5-methylphenyl)undecan-1-ol?
The IUPAC name of 1-(2-fluoro-5-methylphenyl)undecan-1-ol (CID 115789089) is 1-(2-fluoro-5-methylphenyl)undecan-1-ol.
What is the SMILES notation for 1-(2-fluoro-5-methylphenyl)undecan-1-ol?
The canonical SMILES for 1-(2-fluoro-5-methylphenyl)undecan-1-ol is CCCCCCCCCCC(O)c1cc(C)ccc1F.
What is the InChIKey of 1-(2-fluoro-5-methylphenyl)undecan-1-ol?
The InChIKey is SKVTZVZGOXKXFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29FO/c1-3-4-5-6-7-8-9-10-11-18(20)16-14-15(2)12-13-17(16)19/h12-14,18,20H,3-11H2,1-2H3.
What are the key properties of 1-(2-fluoro-5-methylphenyl)undecan-1-ol?
1-(2-fluoro-5-methylphenyl)undecan-1-ol has a molecular weight of 280.43 g/mol, XLogP of 5.70, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-5-methylphenyl)undecan-1-ol is sourced from PubChem (CID 115789089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).