(3,5-difluoro-2-hexoxyphenyl)methanol

C13H18F2O2 — CID 91658009

IUPAC(3,5-difluoro-2-hexoxyphenyl)methanol
SMILESCCCCCCOc1c(F)cc(F)cc1CO
InChIInChI=1S/C13H18F2O2/c1-2-3-4-5-6-17-13-10(9-16)7-11(14)8-12(13)15/h7-8,16H,2-6,9H2,1H3
InChIKeyYNRPTLSOYUCPCS-UHFFFAOYSA-N
MW244.28 g/mol
LogP3.42
Rot. Bonds7

About (3,5-difluoro-2-hexoxyphenyl)methanol

(3,5-difluoro-2-hexoxyphenyl)methanol (PubChem CID 91658009) has the molecular formula C13H18F2O2 and a molecular weight of 244.28 g/mol. Its IUPAC name is (3,5-difluoro-2-hexoxyphenyl)methanol.

Molecular Properties

Compound Name(3,5-difluoro-2-hexoxyphenyl)methanol
PubChem CID91658009
Molecular FormulaC13H18F2O2
Molecular Weight244.28 g/mol
Exact Mass244.13
IUPAC Name(3,5-difluoro-2-hexoxyphenyl)methanol
SMILESCCCCCCOc1c(F)cc(F)cc1CO
InChIInChI=1S/C13H18F2O2/c1-2-3-4-5-6-17-13-10(9-16)7-11(14)8-12(13)15/h7-8,16H,2-6,9H2,1H3
InChIKeyYNRPTLSOYUCPCS-UHFFFAOYSA-N
XLogP3.42
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.28
LogP ≤ 53.42
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

(3-fluoro-2-heptoxyphenyl)methanol
CID 112612964
3,5-difluoro-2-pentoxybenzenethiol
CID 91655651
(5-fluoro-2-hexoxyphenyl)methanol
CID 91657337
3,5-difluoro-2-hexoxybenzaldehyde
CID 91657786
1-[(3,5-difluoro-2-hexoxyphenyl)methyl]-2-phenylhydrazine
CID 169384804
1,2,3,4,5,6-hexakis(4-decoxy-3,5-difluorophenyl)benzene
CID 101373438
3,5-difluoro-2-pentoxybenzoyl chloride
CID 91655224
5-(bromomethyl)-1,3-difluoro-2-hexoxybenzene
CID 79887890
5-(bromomethyl)-2-decoxy-1,3-difluorobenzene
CID 79881356
3,5-difluoro-4-hexoxybenzenethiol
CID 91657934
3,5-difluoro-4-hexoxybenzoic acid
CID 63183875
(5-chloro-3-methoxy-2-pentoxyphenyl)methanol
CID 113438830

Frequently Asked Questions

What is the IUPAC name of (3,5-difluoro-2-hexoxyphenyl)methanol?
The IUPAC name of (3,5-difluoro-2-hexoxyphenyl)methanol (CID 91658009) is (3,5-difluoro-2-hexoxyphenyl)methanol.
What is the SMILES notation for (3,5-difluoro-2-hexoxyphenyl)methanol?
The canonical SMILES for (3,5-difluoro-2-hexoxyphenyl)methanol is CCCCCCOc1c(F)cc(F)cc1CO.
What is the InChIKey of (3,5-difluoro-2-hexoxyphenyl)methanol?
The InChIKey is YNRPTLSOYUCPCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2O2/c1-2-3-4-5-6-17-13-10(9-16)7-11(14)8-12(13)15/h7-8,16H,2-6,9H2,1H3.
What are the key properties of (3,5-difluoro-2-hexoxyphenyl)methanol?
(3,5-difluoro-2-hexoxyphenyl)methanol has a molecular weight of 244.28 g/mol, XLogP of 3.42, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-difluoro-2-hexoxyphenyl)methanol is sourced from PubChem (CID 91658009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).