1-(2-fluoro-3-methoxyphenyl)-2,2-dimethylcyclohexan-1-ol

C15H21FO2 — CID 82806761

IUPAC1-(2-fluoro-3-methoxyphenyl)-2,2-dimethylcyclohexan-1-ol
SMILESCOc1cccc(C2(O)CCCCC2(C)C)c1F
InChIInChI=1S/C15H21FO2/c1-14(2)9-4-5-10-15(14,17)11-7-6-8-12(18-3)13(11)16/h6-8,17H,4-5,9-10H2,1-3H3
InChIKeyPTDZPFIZABGAPJ-UHFFFAOYSA-N
MW252.33 g/mol
LogP3.62
Rot. Bonds2

About 1-(2-fluoro-3-methoxyphenyl)-2,2-dimethylcyclohexan-1-ol

1-(2-fluoro-3-methoxyphenyl)-2,2-dimethylcyclohexan-1-ol (PubChem CID 82806761) has the molecular formula C15H21FO2 and a molecular weight of 252.33 g/mol. Its IUPAC name is 1-(2-fluoro-3-methoxyphenyl)-2,2-dimethylcyclohexan-1-ol.

Molecular Properties

Compound Name1-(2-fluoro-3-methoxyphenyl)-2,2-dimethylcyclohexan-1-ol
PubChem CID82806761
Molecular FormulaC15H21FO2
Molecular Weight252.33 g/mol
Exact Mass252.15
IUPAC Name1-(2-fluoro-3-methoxyphenyl)-2,2-dimethylcyclohexan-1-ol
SMILESCOc1cccc(C2(O)CCCCC2(C)C)c1F
InChIInChI=1S/C15H21FO2/c1-14(2)9-4-5-10-15(14,17)11-7-6-8-12(18-3)13(11)16/h6-8,17H,4-5,9-10H2,1-3H3
InChIKeyPTDZPFIZABGAPJ-UHFFFAOYSA-N
XLogP3.62
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.33
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-fluoro-3-methoxyphenyl)cyclopropan-1-ol
CID 83808255
1-(2-fluoro-3-methoxyphenyl)-3,3-dimethylcyclopentan-1-ol
CID 82805652
3-(2-fluoro-3-methoxyphenyl)azetidin-3-ol
CID 82008577
2,2-dimethyl-1-(2,3,4-trifluorophenyl)cyclopentan-1-ol
CID 79862225
1-(2,5-dimethoxyphenyl)-2,2-dimethylcyclopentan-1-ol
CID 79862324
2-[1-(2-fluoro-3-methoxyphenyl)cyclopropyl]acetic acid
CID 84789631
1-[[(2-fluoro-3-methoxyphenyl)methylamino]methyl]cyclohexan-1-ol
CID 104791869
2-(2-fluoro-3-methoxyphenyl)-3,4-dihydro-1H-naphthalen-2-ol
CID 82806828
1-(2-fluoro-3-methoxyphenyl)-4-propan-2-ylcyclohexan-1-ol
CID 82805715
4-(2-fluoro-3-methoxyphenyl)-2,6-dimethyloxan-4-ol
CID 82808469
(2-fluoro-3-methoxyphenyl)-(1-methoxycyclopentyl)methanol
CID 104610503
1-[[(2-fluoro-3-methoxyphenyl)methylamino]methyl]-4,4-dimethylcyclohexan-1-ol
CID 104791871

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-3-methoxyphenyl)-2,2-dimethylcyclohexan-1-ol?
The IUPAC name of 1-(2-fluoro-3-methoxyphenyl)-2,2-dimethylcyclohexan-1-ol (CID 82806761) is 1-(2-fluoro-3-methoxyphenyl)-2,2-dimethylcyclohexan-1-ol.
What is the SMILES notation for 1-(2-fluoro-3-methoxyphenyl)-2,2-dimethylcyclohexan-1-ol?
The canonical SMILES for 1-(2-fluoro-3-methoxyphenyl)-2,2-dimethylcyclohexan-1-ol is COc1cccc(C2(O)CCCCC2(C)C)c1F.
What is the InChIKey of 1-(2-fluoro-3-methoxyphenyl)-2,2-dimethylcyclohexan-1-ol?
The InChIKey is PTDZPFIZABGAPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FO2/c1-14(2)9-4-5-10-15(14,17)11-7-6-8-12(18-3)13(11)16/h6-8,17H,4-5,9-10H2,1-3H3.
What are the key properties of 1-(2-fluoro-3-methoxyphenyl)-2,2-dimethylcyclohexan-1-ol?
1-(2-fluoro-3-methoxyphenyl)-2,2-dimethylcyclohexan-1-ol has a molecular weight of 252.33 g/mol, XLogP of 3.62, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-3-methoxyphenyl)-2,2-dimethylcyclohexan-1-ol is sourced from PubChem (CID 82806761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).