(3-fluoro-2-heptoxyphenyl)methanol

C14H21FO2 — CID 112612964

IUPAC(3-fluoro-2-heptoxyphenyl)methanol
SMILESCCCCCCCOc1c(F)cccc1CO
InChIInChI=1S/C14H21FO2/c1-2-3-4-5-6-10-17-14-12(11-16)8-7-9-13(14)15/h7-9,16H,2-6,10-11H2,1H3
InChIKeyVTIFXYFALPTORC-UHFFFAOYSA-N
MW240.32 g/mol
LogP3.67
Rot. Bonds8

About (3-fluoro-2-heptoxyphenyl)methanol

(3-fluoro-2-heptoxyphenyl)methanol (PubChem CID 112612964) has the molecular formula C14H21FO2 and a molecular weight of 240.32 g/mol. Its IUPAC name is (3-fluoro-2-heptoxyphenyl)methanol.

Molecular Properties

Compound Name(3-fluoro-2-heptoxyphenyl)methanol
PubChem CID112612964
Molecular FormulaC14H21FO2
Molecular Weight240.32 g/mol
Exact Mass240.15
IUPAC Name(3-fluoro-2-heptoxyphenyl)methanol
SMILESCCCCCCCOc1c(F)cccc1CO
InChIInChI=1S/C14H21FO2/c1-2-3-4-5-6-10-17-14-12(11-16)8-7-9-13(14)15/h7-9,16H,2-6,10-11H2,1H3
InChIKeyVTIFXYFALPTORC-UHFFFAOYSA-N
XLogP3.67
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.32
LogP ≤ 53.67
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-(chloromethyl)-3-fluoro-2-nonoxybenzene
CID 112613670
1-(chloromethyl)-3-fluoro-2-octoxybenzene
CID 112613575
3-[2-fluoro-6-(hydroxymethyl)phenoxy]propan-1-ol
CID 112612921
(2-decoxy-3-methylphenyl)methanol
CID 115956202
2-(3-fluoro-2-pentoxyphenyl)ethanamine
CID 112615154
(3-chloro-2-octoxyphenyl)methanol
CID 112612718
(3-methoxy-2-nonoxyphenyl)methanol
CID 43471510
[3-fluoro-2-(4-methylpentoxy)phenyl]methanol
CID 112613210
2-(2-butyl-6-fluorophenoxy)ethanol
CID 58241999
1-(3-fluoro-2-octoxyphenyl)propan-2-amine
CID 115958573
N-[(3-fluoro-2-heptoxyphenyl)methyl]propan-2-amine
CID 115954986
(3,5-difluoro-2-hexoxyphenyl)methanol
CID 91658009

Frequently Asked Questions

What is the IUPAC name of (3-fluoro-2-heptoxyphenyl)methanol?
The IUPAC name of (3-fluoro-2-heptoxyphenyl)methanol (CID 112612964) is (3-fluoro-2-heptoxyphenyl)methanol.
What is the SMILES notation for (3-fluoro-2-heptoxyphenyl)methanol?
The canonical SMILES for (3-fluoro-2-heptoxyphenyl)methanol is CCCCCCCOc1c(F)cccc1CO.
What is the InChIKey of (3-fluoro-2-heptoxyphenyl)methanol?
The InChIKey is VTIFXYFALPTORC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FO2/c1-2-3-4-5-6-10-17-14-12(11-16)8-7-9-13(14)15/h7-9,16H,2-6,10-11H2,1H3.
What are the key properties of (3-fluoro-2-heptoxyphenyl)methanol?
(3-fluoro-2-heptoxyphenyl)methanol has a molecular weight of 240.32 g/mol, XLogP of 3.67, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoro-2-heptoxyphenyl)methanol is sourced from PubChem (CID 112612964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).