1-[(2,4-difluorophenyl)methyl]-2-methoxycyclohexan-1-ol

C14H18F2O2 — CID 106873605

IUPAC1-[(2,4-difluorophenyl)methyl]-2-methoxycyclohexan-1-ol
SMILESCOC1CCCCC1(O)Cc1ccc(F)cc1F
InChIInChI=1S/C14H18F2O2/c1-18-13-4-2-3-7-14(13,17)9-10-5-6-11(15)8-12(10)16/h5-6,8,13,17H,2-4,7,9H2,1H3
InChIKeyPLTLVSLIEXFPKM-UHFFFAOYSA-N
MW256.29 g/mol
LogP2.83
Rot. Bonds3

About 1-[(2,4-difluorophenyl)methyl]-2-methoxycyclohexan-1-ol

1-[(2,4-difluorophenyl)methyl]-2-methoxycyclohexan-1-ol (PubChem CID 106873605) has the molecular formula C14H18F2O2 and a molecular weight of 256.29 g/mol. Its IUPAC name is 1-[(2,4-difluorophenyl)methyl]-2-methoxycyclohexan-1-ol.

Molecular Properties

Compound Name1-[(2,4-difluorophenyl)methyl]-2-methoxycyclohexan-1-ol
PubChem CID106873605
Molecular FormulaC14H18F2O2
Molecular Weight256.29 g/mol
Exact Mass256.13
IUPAC Name1-[(2,4-difluorophenyl)methyl]-2-methoxycyclohexan-1-ol
SMILESCOC1CCCCC1(O)Cc1ccc(F)cc1F
InChIInChI=1S/C14H18F2O2/c1-18-13-4-2-3-7-14(13,17)9-10-5-6-11(15)8-12(10)16/h5-6,8,13,17H,2-4,7,9H2,1H3
InChIKeyPLTLVSLIEXFPKM-UHFFFAOYSA-N
XLogP2.83
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.29
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(4-chlorophenyl)methyl]-2-methoxycyclohexan-1-ol
CID 106873721
1-[(4-fluoro-2-methylphenyl)methyl]-2-methylcyclohexan-1-ol
CID 114346704
1-[(2-chloro-4-fluorophenyl)methyl]-2-methylcyclohexan-1-ol
CID 65147740
2-methoxy-1-[(4-propan-2-ylphenyl)methyl]cyclohexan-1-ol
CID 106873705
1-[(2,4-difluorophenyl)methyl]-4-ethylcyclohexan-1-ol
CID 62197513
2-(aminomethyl)-2-[(2,4-difluorophenyl)methyl]cyclohexan-1-ol
CID 65393607
1-[(2,4-difluorophenyl)methyl]-2,2-dimethylcyclopentan-1-ol
CID 79862217
methyl 1-[(2,4-difluorophenyl)methyl]cyclopropane-1-carboxylate
CID 116929823
1-[(2,4-difluorophenyl)methyl]-3-propan-2-ylcyclohexan-1-ol
CID 107449843
2-methoxy-1-(1,3-thiazol-5-ylmethyl)cyclohexan-1-ol
CID 106873763
1-[(2,4-difluorophenyl)methyl]-3-ethylcyclopentan-1-ol
CID 64513612
1-[(2,4-difluorophenyl)methyl]bicyclo[3.1.0]hexane
CID 140989722

Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-difluorophenyl)methyl]-2-methoxycyclohexan-1-ol?
The IUPAC name of 1-[(2,4-difluorophenyl)methyl]-2-methoxycyclohexan-1-ol (CID 106873605) is 1-[(2,4-difluorophenyl)methyl]-2-methoxycyclohexan-1-ol.
What is the SMILES notation for 1-[(2,4-difluorophenyl)methyl]-2-methoxycyclohexan-1-ol?
The canonical SMILES for 1-[(2,4-difluorophenyl)methyl]-2-methoxycyclohexan-1-ol is COC1CCCCC1(O)Cc1ccc(F)cc1F.
What is the InChIKey of 1-[(2,4-difluorophenyl)methyl]-2-methoxycyclohexan-1-ol?
The InChIKey is PLTLVSLIEXFPKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2O2/c1-18-13-4-2-3-7-14(13,17)9-10-5-6-11(15)8-12(10)16/h5-6,8,13,17H,2-4,7,9H2,1H3.
What are the key properties of 1-[(2,4-difluorophenyl)methyl]-2-methoxycyclohexan-1-ol?
1-[(2,4-difluorophenyl)methyl]-2-methoxycyclohexan-1-ol has a molecular weight of 256.29 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-difluorophenyl)methyl]-2-methoxycyclohexan-1-ol is sourced from PubChem (CID 106873605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).