1-(3-fluoro-4-methoxyphenyl)-3-methoxycyclohexan-1-ol

C14H19FO3 — CID 106874129

IUPAC1-(3-fluoro-4-methoxyphenyl)-3-methoxycyclohexan-1-ol
SMILESCOc1ccc(C2(O)CCCC(OC)C2)cc1F
InChIInChI=1S/C14H19FO3/c1-17-11-4-3-7-14(16,9-11)10-5-6-13(18-2)12(15)8-10/h5-6,8,11,16H,3-4,7,9H2,1-2H3
InChIKeySYRUPRLQQPCEDG-UHFFFAOYSA-N
MW254.30 g/mol
LogP2.61
Rot. Bonds3

About 1-(3-fluoro-4-methoxyphenyl)-3-methoxycyclohexan-1-ol

1-(3-fluoro-4-methoxyphenyl)-3-methoxycyclohexan-1-ol (PubChem CID 106874129) has the molecular formula C14H19FO3 and a molecular weight of 254.30 g/mol. Its IUPAC name is 1-(3-fluoro-4-methoxyphenyl)-3-methoxycyclohexan-1-ol.

Molecular Properties

Compound Name1-(3-fluoro-4-methoxyphenyl)-3-methoxycyclohexan-1-ol
PubChem CID106874129
Molecular FormulaC14H19FO3
Molecular Weight254.30 g/mol
Exact Mass254.13
IUPAC Name1-(3-fluoro-4-methoxyphenyl)-3-methoxycyclohexan-1-ol
SMILESCOc1ccc(C2(O)CCCC(OC)C2)cc1F
InChIInChI=1S/C14H19FO3/c1-17-11-4-3-7-14(16,9-11)10-5-6-13(18-2)12(15)8-10/h5-6,8,11,16H,3-4,7,9H2,1-2H3
InChIKeySYRUPRLQQPCEDG-UHFFFAOYSA-N
XLogP2.61
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.30
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-fluoro-4-methoxyphenyl)-9-azabicyclo[3.3.1]nonan-3-ol
CID 171961618
3-(3-fluoro-4-methoxyphenyl)-8,8-dioxo-8λ6-thiabicyclo[3.2.1]octan-3-ol
CID 171961617
3-amino-1-(3-fluoro-4-methoxyphenyl)cyclobutan-1-ol
CID 80561285
1-(3,4-dimethoxyphenyl)-3-methoxycyclobutan-1-ol
CID 106823852
4-(3-fluoro-4-methoxyphenyl)-1-propan-2-ylazepan-4-ol
CID 65077277
3-methoxy-1-(2-methylquinolin-6-yl)cyclohexan-1-ol
CID 106873976
3-cyclopropyl-1-(3-fluoro-4-methoxyphenyl)cyclohexan-1-amine
CID 64595065
1-(3-fluoro-4-methoxyphenyl)cyclobutan-1-amine;hydrochloride
CID 162691811
2-(3-fluoro-4-methoxyphenyl)-2-methylcyclopropan-1-amine
CID 62389721
3-ethyl-1-[(3-fluoro-4-methoxyphenyl)methyl]cyclohexan-1-ol
CID 65149488
1-(3-fluoro-4-methoxyphenyl)-2-propylcyclopropan-1-ol
CID 79332815
3-(4-fluoro-3-methoxyphenyl)-9-thiabicyclo[3.3.1]nonan-3-ol
CID 171961451

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-methoxyphenyl)-3-methoxycyclohexan-1-ol?
The IUPAC name of 1-(3-fluoro-4-methoxyphenyl)-3-methoxycyclohexan-1-ol (CID 106874129) is 1-(3-fluoro-4-methoxyphenyl)-3-methoxycyclohexan-1-ol.
What is the SMILES notation for 1-(3-fluoro-4-methoxyphenyl)-3-methoxycyclohexan-1-ol?
The canonical SMILES for 1-(3-fluoro-4-methoxyphenyl)-3-methoxycyclohexan-1-ol is COc1ccc(C2(O)CCCC(OC)C2)cc1F.
What is the InChIKey of 1-(3-fluoro-4-methoxyphenyl)-3-methoxycyclohexan-1-ol?
The InChIKey is SYRUPRLQQPCEDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FO3/c1-17-11-4-3-7-14(16,9-11)10-5-6-13(18-2)12(15)8-10/h5-6,8,11,16H,3-4,7,9H2,1-2H3.
What are the key properties of 1-(3-fluoro-4-methoxyphenyl)-3-methoxycyclohexan-1-ol?
1-(3-fluoro-4-methoxyphenyl)-3-methoxycyclohexan-1-ol has a molecular weight of 254.30 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4-methoxyphenyl)-3-methoxycyclohexan-1-ol is sourced from PubChem (CID 106874129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).