(4-cyclopropyloxyphenyl)-(3,4-difluorophenyl)methanol

C16H14F2O2 — CID 114518537

IUPAC(4-cyclopropyloxyphenyl)-(3,4-difluorophenyl)methanol
SMILESOC(c1ccc(OC2CC2)cc1)c1ccc(F)c(F)c1
InChIInChI=1S/C16H14F2O2/c17-14-8-3-11(9-15(14)18)16(19)10-1-4-12(5-2-10)20-13-6-7-13/h1-5,8-9,13,16,19H,6-7H2
InChIKeyOFKIPUHAFYAFNP-UHFFFAOYSA-N
MW276.28 g/mol
LogP3.59
Rot. Bonds4

About (4-cyclopropyloxyphenyl)-(3,4-difluorophenyl)methanol

(4-cyclopropyloxyphenyl)-(3,4-difluorophenyl)methanol (PubChem CID 114518537) has the molecular formula C16H14F2O2 and a molecular weight of 276.28 g/mol. Its IUPAC name is (4-cyclopropyloxyphenyl)-(3,4-difluorophenyl)methanol.

Molecular Properties

Compound Name(4-cyclopropyloxyphenyl)-(3,4-difluorophenyl)methanol
PubChem CID114518537
Molecular FormulaC16H14F2O2
Molecular Weight276.28 g/mol
Exact Mass276.10
IUPAC Name(4-cyclopropyloxyphenyl)-(3,4-difluorophenyl)methanol
SMILESOC(c1ccc(OC2CC2)cc1)c1ccc(F)c(F)c1
InChIInChI=1S/C16H14F2O2/c17-14-8-3-11(9-15(14)18)16(19)10-1-4-12(5-2-10)20-13-6-7-13/h1-5,8-9,13,16,19H,6-7H2
InChIKeyOFKIPUHAFYAFNP-UHFFFAOYSA-N
XLogP3.59
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.28
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-cyclopropyloxyphenyl)-(3-fluoro-4-methylphenyl)methanol
CID 114518560
(3-chloro-4-fluorophenyl)-(4-cyclopropyloxyphenyl)methanol
CID 114518680
(4-cyclopropyloxyphenyl)-(4-fluoro-3-methoxyphenyl)methanol
CID 115838349
(4-cyclopropyloxyphenyl)-(2-fluoro-4-methylphenyl)methanol
CID 115838353
(4-cyclopropyloxyphenyl)-(2,4-difluoro-5-methylphenyl)methanol
CID 115838370
(4-cyclopropyloxyphenyl)-(4-cyclopropylphenyl)methanol
CID 114518662
1,3-benzodioxol-5-yl-(4-cyclopropyloxyphenyl)methanol
CID 114518527
(4-cyclopropyloxyphenyl)-(4-ethoxyphenyl)methanol
CID 114518502
(3-chloro-5-methylphenyl)-(4-cyclopropyloxyphenyl)methanol
CID 115838406
(3-cyclopropyloxyphenyl)-(3,4-difluorophenyl)methanamine
CID 114521500
(4-cyclopropyloxyphenyl)-(4-fluoro-3-methoxyphenyl)methanamine
CID 105051381
(3-cyclopropyloxyphenyl)-(4-methylsulfanylphenyl)methanol
CID 115838445

Frequently Asked Questions

What is the IUPAC name of (4-cyclopropyloxyphenyl)-(3,4-difluorophenyl)methanol?
The IUPAC name of (4-cyclopropyloxyphenyl)-(3,4-difluorophenyl)methanol (CID 114518537) is (4-cyclopropyloxyphenyl)-(3,4-difluorophenyl)methanol.
What is the SMILES notation for (4-cyclopropyloxyphenyl)-(3,4-difluorophenyl)methanol?
The canonical SMILES for (4-cyclopropyloxyphenyl)-(3,4-difluorophenyl)methanol is OC(c1ccc(OC2CC2)cc1)c1ccc(F)c(F)c1.
What is the InChIKey of (4-cyclopropyloxyphenyl)-(3,4-difluorophenyl)methanol?
The InChIKey is OFKIPUHAFYAFNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F2O2/c17-14-8-3-11(9-15(14)18)16(19)10-1-4-12(5-2-10)20-13-6-7-13/h1-5,8-9,13,16,19H,6-7H2.
What are the key properties of (4-cyclopropyloxyphenyl)-(3,4-difluorophenyl)methanol?
(4-cyclopropyloxyphenyl)-(3,4-difluorophenyl)methanol has a molecular weight of 276.28 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclopropyloxyphenyl)-(3,4-difluorophenyl)methanol is sourced from PubChem (CID 114518537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).