2-ethyl-2-[(3-fluoro-4-methoxyphenyl)methyl]hexan-1-ol

C16H25FO2 — CID 66057665

IUPAC2-ethyl-2-[(3-fluoro-4-methoxyphenyl)methyl]hexan-1-ol
SMILESCCCCC(CC)(CO)Cc1ccc(OC)c(F)c1
InChIInChI=1S/C16H25FO2/c1-4-6-9-16(5-2,12-18)11-13-7-8-15(19-3)14(17)10-13/h7-8,10,18H,4-6,9,11-12H2,1-3H3
InChIKeyWNUWDMWUINEVAJ-UHFFFAOYSA-N
MW268.37 g/mol
LogP3.96
Rot. Bonds8

About 2-ethyl-2-[(3-fluoro-4-methoxyphenyl)methyl]hexan-1-ol

2-ethyl-2-[(3-fluoro-4-methoxyphenyl)methyl]hexan-1-ol (PubChem CID 66057665) has the molecular formula C16H25FO2 and a molecular weight of 268.37 g/mol. Its IUPAC name is 2-ethyl-2-[(3-fluoro-4-methoxyphenyl)methyl]hexan-1-ol.

Molecular Properties

Compound Name2-ethyl-2-[(3-fluoro-4-methoxyphenyl)methyl]hexan-1-ol
PubChem CID66057665
Molecular FormulaC16H25FO2
Molecular Weight268.37 g/mol
Exact Mass268.18
IUPAC Name2-ethyl-2-[(3-fluoro-4-methoxyphenyl)methyl]hexan-1-ol
SMILESCCCCC(CC)(CO)Cc1ccc(OC)c(F)c1
InChIInChI=1S/C16H25FO2/c1-4-6-9-16(5-2,12-18)11-13-7-8-15(19-3)14(17)10-13/h7-8,10,18H,4-6,9,11-12H2,1-3H3
InChIKeyWNUWDMWUINEVAJ-UHFFFAOYSA-N
XLogP3.96
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.37
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethyl-2-[(3-fluoro-4-methoxyphenyl)methyl]butan-1-ol
CID 66058297
2-ethyl-2-[(3-fluoro-4-methoxyphenyl)methyl]hexan-1-amine
CID 62725099
2-[(5-chloro-2-methoxyphenyl)methyl]-2-ethylhexan-1-ol
CID 66059544
2-ethyl-2-[[4-(trifluoromethoxy)phenyl]methyl]hexan-1-ol
CID 66060409
2-[(3-fluoro-4-methoxyphenyl)methyl]-2-phenylbutan-1-ol
CID 66059563
2-(aminomethyl)-2-(cyclopropylmethyl)-3-(3-fluoro-4-methoxyphenyl)propan-1-ol
CID 106506836
2-(4-ethylphenyl)-1-(3-fluoro-4-methoxyphenyl)propan-2-ol
CID 65147032
2-(2,3-dihydro-1H-inden-5-ylmethyl)-2-ethylhexan-1-ol
CID 66059336
2-(aminomethyl)-3-(3-fluoro-4-methoxyphenyl)-2-methylpropan-1-ol
CID 106506240
1-(3-fluoro-4-methoxyphenyl)-2-phenylpentan-2-ol
CID 65146578
4-[2,2-bis(chloromethyl)-4-methylpentyl]-2-fluoro-1-methoxybenzene
CID 79447677
2-benzyl-1-(3-fluoro-4-methoxyphenyl)butan-2-amine
CID 79008622

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-[(3-fluoro-4-methoxyphenyl)methyl]hexan-1-ol?
The IUPAC name of 2-ethyl-2-[(3-fluoro-4-methoxyphenyl)methyl]hexan-1-ol (CID 66057665) is 2-ethyl-2-[(3-fluoro-4-methoxyphenyl)methyl]hexan-1-ol.
What is the SMILES notation for 2-ethyl-2-[(3-fluoro-4-methoxyphenyl)methyl]hexan-1-ol?
The canonical SMILES for 2-ethyl-2-[(3-fluoro-4-methoxyphenyl)methyl]hexan-1-ol is CCCCC(CC)(CO)Cc1ccc(OC)c(F)c1.
What is the InChIKey of 2-ethyl-2-[(3-fluoro-4-methoxyphenyl)methyl]hexan-1-ol?
The InChIKey is WNUWDMWUINEVAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FO2/c1-4-6-9-16(5-2,12-18)11-13-7-8-15(19-3)14(17)10-13/h7-8,10,18H,4-6,9,11-12H2,1-3H3.
What are the key properties of 2-ethyl-2-[(3-fluoro-4-methoxyphenyl)methyl]hexan-1-ol?
2-ethyl-2-[(3-fluoro-4-methoxyphenyl)methyl]hexan-1-ol has a molecular weight of 268.37 g/mol, XLogP of 3.96, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-[(3-fluoro-4-methoxyphenyl)methyl]hexan-1-ol is sourced from PubChem (CID 66057665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).