1-(2-fluoro-3-methoxyphenyl)-4-propan-2-ylcyclohexan-1-ol

C16H23FO2 — CID 82805715

IUPAC1-(2-fluoro-3-methoxyphenyl)-4-propan-2-ylcyclohexan-1-ol
SMILESCOc1cccc(C2(O)CCC(C(C)C)CC2)c1F
InChIInChI=1S/C16H23FO2/c1-11(2)12-7-9-16(18,10-8-12)13-5-4-6-14(19-3)15(13)17/h4-6,11-12,18H,7-10H2,1-3H3
InChIKeyHLROLUGFLYHPTF-UHFFFAOYSA-N
MW266.36 g/mol
LogP3.87
Rot. Bonds3

About 1-(2-fluoro-3-methoxyphenyl)-4-propan-2-ylcyclohexan-1-ol

1-(2-fluoro-3-methoxyphenyl)-4-propan-2-ylcyclohexan-1-ol (PubChem CID 82805715) has the molecular formula C16H23FO2 and a molecular weight of 266.36 g/mol. Its IUPAC name is 1-(2-fluoro-3-methoxyphenyl)-4-propan-2-ylcyclohexan-1-ol.

Molecular Properties

Compound Name1-(2-fluoro-3-methoxyphenyl)-4-propan-2-ylcyclohexan-1-ol
PubChem CID82805715
Molecular FormulaC16H23FO2
Molecular Weight266.36 g/mol
Exact Mass266.17
IUPAC Name1-(2-fluoro-3-methoxyphenyl)-4-propan-2-ylcyclohexan-1-ol
SMILESCOc1cccc(C2(O)CCC(C(C)C)CC2)c1F
InChIInChI=1S/C16H23FO2/c1-11(2)12-7-9-16(18,10-8-12)13-5-4-6-14(19-3)15(13)17/h4-6,11-12,18H,7-10H2,1-3H3
InChIKeyHLROLUGFLYHPTF-UHFFFAOYSA-N
XLogP3.87
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.36
LogP ≤ 53.87
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-methoxyphenyl)-4-propan-2-ylcycloheptan-1-ol
CID 65090264
1-(3-bromo-2-fluorophenyl)-4-propan-2-ylcycloheptan-1-ol
CID 106644452
3-(2-fluoro-3-methoxyphenyl)azetidin-3-ol
CID 82008577
1-(2-fluoro-3-methoxyphenyl)-3,3-dimethylcyclopentan-1-ol
CID 82805652
4-(2-fluoro-3-methoxyphenyl)-2,6-dimethyloxan-4-ol
CID 82808469
1-(2-methoxyphenyl)-4-methylcyclohexan-1-ol
CID 60794785
2-(2-fluoro-3-methoxyphenyl)-3,4-dihydro-1H-naphthalen-2-ol
CID 82806828
1-(2,3-dimethylphenyl)-4-propan-2-ylcyclohexan-1-ol
CID 63406978
1-(4-fluoro-2-methylphenyl)-4-propan-2-ylcyclohexan-1-ol
CID 63407272
1-(4,4-difluorocyclohexyl)-2-(2-fluoro-3-methoxyphenyl)ethanol
CID 105125713
1-(2-fluoro-3-methoxyphenyl)-2,2-dimethylcyclohexan-1-ol
CID 82806761

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-3-methoxyphenyl)-4-propan-2-ylcyclohexan-1-ol?
The IUPAC name of 1-(2-fluoro-3-methoxyphenyl)-4-propan-2-ylcyclohexan-1-ol (CID 82805715) is 1-(2-fluoro-3-methoxyphenyl)-4-propan-2-ylcyclohexan-1-ol.
What is the SMILES notation for 1-(2-fluoro-3-methoxyphenyl)-4-propan-2-ylcyclohexan-1-ol?
The canonical SMILES for 1-(2-fluoro-3-methoxyphenyl)-4-propan-2-ylcyclohexan-1-ol is COc1cccc(C2(O)CCC(C(C)C)CC2)c1F.
What is the InChIKey of 1-(2-fluoro-3-methoxyphenyl)-4-propan-2-ylcyclohexan-1-ol?
The InChIKey is HLROLUGFLYHPTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FO2/c1-11(2)12-7-9-16(18,10-8-12)13-5-4-6-14(19-3)15(13)17/h4-6,11-12,18H,7-10H2,1-3H3.
What are the key properties of 1-(2-fluoro-3-methoxyphenyl)-4-propan-2-ylcyclohexan-1-ol?
1-(2-fluoro-3-methoxyphenyl)-4-propan-2-ylcyclohexan-1-ol has a molecular weight of 266.36 g/mol, XLogP of 3.87, 3 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)-4-propan-2-ylcyclohexan-1-ol is sourced from PubChem (CID 82805715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).