(3-fluoro-4-nonylphenyl)methanol

C16H25FO — CID 174919502

IUPAC(3-fluoro-4-nonylphenyl)methanol
SMILESCCCCCCCCCc1ccc(CO)cc1F
InChIInChI=1S/C16H25FO/c1-2-3-4-5-6-7-8-9-15-11-10-14(13-18)12-16(15)17/h10-12,18H,2-9,13H2,1H3
InChIKeyJMWGJPRAKVAXHO-UHFFFAOYSA-N
MW252.37 g/mol
LogP4.61
Rot. Bonds9

About (3-fluoro-4-nonylphenyl)methanol

(3-fluoro-4-nonylphenyl)methanol (PubChem CID 174919502) has the molecular formula C16H25FO and a molecular weight of 252.37 g/mol. Its IUPAC name is (3-fluoro-4-nonylphenyl)methanol.

Molecular Properties

Compound Name(3-fluoro-4-nonylphenyl)methanol
PubChem CID174919502
Molecular FormulaC16H25FO
Molecular Weight252.37 g/mol
Exact Mass252.19
IUPAC Name(3-fluoro-4-nonylphenyl)methanol
SMILESCCCCCCCCCc1ccc(CO)cc1F
InChIInChI=1S/C16H25FO/c1-2-3-4-5-6-7-8-9-15-11-10-14(13-18)12-16(15)17/h10-12,18H,2-9,13H2,1H3
InChIKeyJMWGJPRAKVAXHO-UHFFFAOYSA-N
XLogP4.61
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.37
LogP ≤ 54.61
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-fluoro-4-(4-heptylphenyl)-1-pentylbenzene
CID 67842495
2-fluoro-1-heptyl-4-methylbenzene
CID 58718848
2,4-difluoro-1-pentylbenzene
CID 20770613
2-fluoro-1-pentyl-4-(4-propylphenyl)benzene
CID 67842368
(3-fluoro-4-nonylphenyl)boronic acid
CID 66879918
2-fluoro-1-hexyl-4-[2-[4-[2-(4-pentylphenyl)ethynyl]phenyl]ethynyl]benzene
CID 22112264
3-fluoro-4-octylbenzenesulfonic acid
CID 87359696
ethyl formate;(3-fluoro-4-propylphenyl)methanol
CID 144732330
2-butyl-5-pentadecylphenol
CID 175271686
2-fluoro-4-(4-heptylphenyl)-1-[2-(4-propylphenyl)ethyl]benzene
CID 19906984
2-amino-2-(2-fluoro-4-nonylphenyl)ethanol
CID 15007754
4-(3,4-dihexylphenyl)butan-1-ol
CID 169030175

Frequently Asked Questions

What is the IUPAC name of (3-fluoro-4-nonylphenyl)methanol?
The IUPAC name of (3-fluoro-4-nonylphenyl)methanol (CID 174919502) is (3-fluoro-4-nonylphenyl)methanol.
What is the SMILES notation for (3-fluoro-4-nonylphenyl)methanol?
The canonical SMILES for (3-fluoro-4-nonylphenyl)methanol is CCCCCCCCCc1ccc(CO)cc1F.
What is the InChIKey of (3-fluoro-4-nonylphenyl)methanol?
The InChIKey is JMWGJPRAKVAXHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FO/c1-2-3-4-5-6-7-8-9-15-11-10-14(13-18)12-16(15)17/h10-12,18H,2-9,13H2,1H3.
What are the key properties of (3-fluoro-4-nonylphenyl)methanol?
(3-fluoro-4-nonylphenyl)methanol has a molecular weight of 252.37 g/mol, XLogP of 4.61, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoro-4-nonylphenyl)methanol is sourced from PubChem (CID 174919502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).