1-[(2,3-difluorophenyl)methyl]-2-ethylcyclohexan-1-ol

C15H20F2O — CID 65149328

IUPAC1-[(2,3-difluorophenyl)methyl]-2-ethylcyclohexan-1-ol
SMILESCCC1CCCCC1(O)Cc1cccc(F)c1F
InChIInChI=1S/C15H20F2O/c1-2-12-7-3-4-9-15(12,18)10-11-6-5-8-13(16)14(11)17/h5-6,8,12,18H,2-4,7,9-10H2,1H3
InChIKeyMPBXZNAXSVSLRW-UHFFFAOYSA-N
MW254.32 g/mol
LogP3.84
Rot. Bonds3

About 1-[(2,3-difluorophenyl)methyl]-2-ethylcyclohexan-1-ol

1-[(2,3-difluorophenyl)methyl]-2-ethylcyclohexan-1-ol (PubChem CID 65149328) has the molecular formula C15H20F2O and a molecular weight of 254.32 g/mol. Its IUPAC name is 1-[(2,3-difluorophenyl)methyl]-2-ethylcyclohexan-1-ol.

Molecular Properties

Compound Name1-[(2,3-difluorophenyl)methyl]-2-ethylcyclohexan-1-ol
PubChem CID65149328
Molecular FormulaC15H20F2O
Molecular Weight254.32 g/mol
Exact Mass254.15
IUPAC Name1-[(2,3-difluorophenyl)methyl]-2-ethylcyclohexan-1-ol
SMILESCCC1CCCCC1(O)Cc1cccc(F)c1F
InChIInChI=1S/C15H20F2O/c1-2-12-7-3-4-9-15(12,18)10-11-6-5-8-13(16)14(11)17/h5-6,8,12,18H,2-4,7,9-10H2,1H3
InChIKeyMPBXZNAXSVSLRW-UHFFFAOYSA-N
XLogP3.84
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.32
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[(2,3-difluorophenyl)methyl]-2-ethylcyclohexan-1-ol?
The IUPAC name of 1-[(2,3-difluorophenyl)methyl]-2-ethylcyclohexan-1-ol (CID 65149328) is 1-[(2,3-difluorophenyl)methyl]-2-ethylcyclohexan-1-ol.
What is the SMILES notation for 1-[(2,3-difluorophenyl)methyl]-2-ethylcyclohexan-1-ol?
The canonical SMILES for 1-[(2,3-difluorophenyl)methyl]-2-ethylcyclohexan-1-ol is CCC1CCCCC1(O)Cc1cccc(F)c1F.
What is the InChIKey of 1-[(2,3-difluorophenyl)methyl]-2-ethylcyclohexan-1-ol?
The InChIKey is MPBXZNAXSVSLRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2O/c1-2-12-7-3-4-9-15(12,18)10-11-6-5-8-13(16)14(11)17/h5-6,8,12,18H,2-4,7,9-10H2,1H3.
What are the key properties of 1-[(2,3-difluorophenyl)methyl]-2-ethylcyclohexan-1-ol?
1-[(2,3-difluorophenyl)methyl]-2-ethylcyclohexan-1-ol has a molecular weight of 254.32 g/mol, XLogP of 3.84, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,3-difluorophenyl)methyl]-2-ethylcyclohexan-1-ol is sourced from PubChem (CID 65149328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).