(2,4-difluoro-5-methylphenyl)-(4-ethylcyclohexyl)methanol

C16H22F2O — CID 115807295

IUPAC(2,4-difluoro-5-methylphenyl)-(4-ethylcyclohexyl)methanol
SMILESCCC1CCC(C(O)c2cc(C)c(F)cc2F)CC1
InChIInChI=1S/C16H22F2O/c1-3-11-4-6-12(7-5-11)16(19)13-8-10(2)14(17)9-15(13)18/h8-9,11-12,16,19H,3-7H2,1-2H3
InChIKeySUMPZQIIJASYPD-UHFFFAOYSA-N
MW268.35 g/mol
LogP4.52
Rot. Bonds3

About (2,4-difluoro-5-methylphenyl)-(4-ethylcyclohexyl)methanol

(2,4-difluoro-5-methylphenyl)-(4-ethylcyclohexyl)methanol (PubChem CID 115807295) has the molecular formula C16H22F2O and a molecular weight of 268.35 g/mol. Its IUPAC name is (2,4-difluoro-5-methylphenyl)-(4-ethylcyclohexyl)methanol.

Molecular Properties

Compound Name(2,4-difluoro-5-methylphenyl)-(4-ethylcyclohexyl)methanol
PubChem CID115807295
Molecular FormulaC16H22F2O
Molecular Weight268.35 g/mol
Exact Mass268.16
IUPAC Name(2,4-difluoro-5-methylphenyl)-(4-ethylcyclohexyl)methanol
SMILESCCC1CCC(C(O)c2cc(C)c(F)cc2F)CC1
InChIInChI=1S/C16H22F2O/c1-3-11-4-6-12(7-5-11)16(19)13-8-10(2)14(17)9-15(13)18/h8-9,11-12,16,19H,3-7H2,1-2H3
InChIKeySUMPZQIIJASYPD-UHFFFAOYSA-N
XLogP4.52
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.35
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2,4-difluoro-5-methylphenyl)-(4-ethylcyclohexyl)methanol?
The IUPAC name of (2,4-difluoro-5-methylphenyl)-(4-ethylcyclohexyl)methanol (CID 115807295) is (2,4-difluoro-5-methylphenyl)-(4-ethylcyclohexyl)methanol.
What is the SMILES notation for (2,4-difluoro-5-methylphenyl)-(4-ethylcyclohexyl)methanol?
The canonical SMILES for (2,4-difluoro-5-methylphenyl)-(4-ethylcyclohexyl)methanol is CCC1CCC(C(O)c2cc(C)c(F)cc2F)CC1.
What is the InChIKey of (2,4-difluoro-5-methylphenyl)-(4-ethylcyclohexyl)methanol?
The InChIKey is SUMPZQIIJASYPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F2O/c1-3-11-4-6-12(7-5-11)16(19)13-8-10(2)14(17)9-15(13)18/h8-9,11-12,16,19H,3-7H2,1-2H3.
What are the key properties of (2,4-difluoro-5-methylphenyl)-(4-ethylcyclohexyl)methanol?
(2,4-difluoro-5-methylphenyl)-(4-ethylcyclohexyl)methanol has a molecular weight of 268.35 g/mol, XLogP of 4.52, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-difluoro-5-methylphenyl)-(4-ethylcyclohexyl)methanol is sourced from PubChem (CID 115807295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).