1-cyclohexyl-3-(3-fluorophenyl)-1-methoxypropan-2-ol

C16H23FO2 — CID 116756361

IUPAC1-cyclohexyl-3-(3-fluorophenyl)-1-methoxypropan-2-ol
SMILESCOC(C(O)Cc1cccc(F)c1)C1CCCCC1
InChIInChI=1S/C16H23FO2/c1-19-16(13-7-3-2-4-8-13)15(18)11-12-6-5-9-14(17)10-12/h5-6,9-10,13,15-16,18H,2-4,7-8,11H2,1H3
InChIKeyNEWSUGFSFTZVHM-UHFFFAOYSA-N
MW266.36 g/mol
LogP3.32
Rot. Bonds5

About 1-cyclohexyl-3-(3-fluorophenyl)-1-methoxypropan-2-ol

1-cyclohexyl-3-(3-fluorophenyl)-1-methoxypropan-2-ol (PubChem CID 116756361) has the molecular formula C16H23FO2 and a molecular weight of 266.36 g/mol. Its IUPAC name is 1-cyclohexyl-3-(3-fluorophenyl)-1-methoxypropan-2-ol.

Molecular Properties

Compound Name1-cyclohexyl-3-(3-fluorophenyl)-1-methoxypropan-2-ol
PubChem CID116756361
Molecular FormulaC16H23FO2
Molecular Weight266.36 g/mol
Exact Mass266.17
IUPAC Name1-cyclohexyl-3-(3-fluorophenyl)-1-methoxypropan-2-ol
SMILESCOC(C(O)Cc1cccc(F)c1)C1CCCCC1
InChIInChI=1S/C16H23FO2/c1-19-16(13-7-3-2-4-8-13)15(18)11-12-6-5-9-14(17)10-12/h5-6,9-10,13,15-16,18H,2-4,7-8,11H2,1H3
InChIKeyNEWSUGFSFTZVHM-UHFFFAOYSA-N
XLogP3.32
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.36
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-chloro-3-fluorophenyl)-1-cyclohexyl-1-methoxypropan-2-ol
CID 107884380
1-cyclopropyl-N-ethyl-3-(3-fluorophenyl)-1-methoxypropan-2-amine
CID 116722529
1-cyclopropyl-3-(3,4-dimethylphenyl)-1-methoxypropan-2-ol
CID 116712521
1-(3-fluorophenyl)-3-methoxy-4,4-dimethylpentan-2-ol
CID 116712981
1-cyclohexyl-1-methoxy-5-phenylpentan-2-ol
CID 116756419
3-(2-bromo-5-fluorophenyl)-1-cyclopropyl-1-methoxypropan-2-ol
CID 116712649
1-cyclopropyl-1-methoxy-3-(4-methylphenyl)propan-2-ol
CID 116712560
1-(2-chloro-3-cyclohexylpropyl)-3-fluorobenzene
CID 63543352
1-(3,5-dimethylcyclohexyl)-2-(3-fluorophenyl)ethanol
CID 64731491
2-cyclohexyl-1-(4-fluoro-2-methylphenyl)-2-methoxyethanol
CID 116756379
1-(3-fluorophenyl)-4-methoxybutan-2-ol
CID 61412399
1-cyclohexyl-3-(2,6-difluorophenyl)-1-ethoxypropan-2-ol
CID 114931734

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-(3-fluorophenyl)-1-methoxypropan-2-ol?
The IUPAC name of 1-cyclohexyl-3-(3-fluorophenyl)-1-methoxypropan-2-ol (CID 116756361) is 1-cyclohexyl-3-(3-fluorophenyl)-1-methoxypropan-2-ol.
What is the SMILES notation for 1-cyclohexyl-3-(3-fluorophenyl)-1-methoxypropan-2-ol?
The canonical SMILES for 1-cyclohexyl-3-(3-fluorophenyl)-1-methoxypropan-2-ol is COC(C(O)Cc1cccc(F)c1)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-(3-fluorophenyl)-1-methoxypropan-2-ol?
The InChIKey is NEWSUGFSFTZVHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FO2/c1-19-16(13-7-3-2-4-8-13)15(18)11-12-6-5-9-14(17)10-12/h5-6,9-10,13,15-16,18H,2-4,7-8,11H2,1H3.
What are the key properties of 1-cyclohexyl-3-(3-fluorophenyl)-1-methoxypropan-2-ol?
1-cyclohexyl-3-(3-fluorophenyl)-1-methoxypropan-2-ol has a molecular weight of 266.36 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-(3-fluorophenyl)-1-methoxypropan-2-ol is sourced from PubChem (CID 116756361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).