(3-chloro-4-fluorophenyl)-(4-cyclopropyloxyphenyl)methanol

C16H14ClFO2 — CID 114518680

IUPAC(3-chloro-4-fluorophenyl)-(4-cyclopropyloxyphenyl)methanol
SMILESOC(c1ccc(OC2CC2)cc1)c1ccc(F)c(Cl)c1
InChIInChI=1S/C16H14ClFO2/c17-14-9-11(3-8-15(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
InChIKeyLPVLKLJSKCKODO-UHFFFAOYSA-N
MW292.74 g/mol
LogP4.10
Rot. Bonds4

About (3-chloro-4-fluorophenyl)-(4-cyclopropyloxyphenyl)methanol

(3-chloro-4-fluorophenyl)-(4-cyclopropyloxyphenyl)methanol (PubChem CID 114518680) has the molecular formula C16H14ClFO2 and a molecular weight of 292.74 g/mol. Its IUPAC name is (3-chloro-4-fluorophenyl)-(4-cyclopropyloxyphenyl)methanol.

Molecular Properties

Compound Name(3-chloro-4-fluorophenyl)-(4-cyclopropyloxyphenyl)methanol
PubChem CID114518680
Molecular FormulaC16H14ClFO2
Molecular Weight292.74 g/mol
Exact Mass292.07
IUPAC Name(3-chloro-4-fluorophenyl)-(4-cyclopropyloxyphenyl)methanol
SMILESOC(c1ccc(OC2CC2)cc1)c1ccc(F)c(Cl)c1
InChIInChI=1S/C16H14ClFO2/c17-14-9-11(3-8-15(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
InChIKeyLPVLKLJSKCKODO-UHFFFAOYSA-N
XLogP4.10
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.74
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-cyclopropyloxyphenyl)-(3,4-difluorophenyl)methanol
CID 114518537
(4-cyclopropyloxyphenyl)-(4-fluoro-3-methoxyphenyl)methanol
CID 115838349
(4-cyclopropyloxyphenyl)-(3-fluoro-4-methylphenyl)methanol
CID 114518560
(3-chloro-5-methylphenyl)-(4-cyclopropyloxyphenyl)methanol
CID 115838406
(3-chloro-4-fluorophenyl)-(4-propan-2-ylphenyl)methanol
CID 63094658
(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
(3-chloro-4-fluorophenyl)-(3-fluoro-4-methoxyphenyl)methanol
CID 63094497
1,3-benzodioxol-5-yl-(4-cyclopropyloxyphenyl)methanol
CID 114518527
(4-cyclopropyloxyphenyl)-(4-ethoxyphenyl)methanol
CID 114518502
(3-chloro-5-fluorophenyl)-(3-cyclopropyloxyphenyl)methanol
CID 114521051

Frequently Asked Questions

What is the IUPAC name of (3-chloro-4-fluorophenyl)-(4-cyclopropyloxyphenyl)methanol?
The IUPAC name of (3-chloro-4-fluorophenyl)-(4-cyclopropyloxyphenyl)methanol (CID 114518680) is (3-chloro-4-fluorophenyl)-(4-cyclopropyloxyphenyl)methanol.
What is the SMILES notation for (3-chloro-4-fluorophenyl)-(4-cyclopropyloxyphenyl)methanol?
The canonical SMILES for (3-chloro-4-fluorophenyl)-(4-cyclopropyloxyphenyl)methanol is OC(c1ccc(OC2CC2)cc1)c1ccc(F)c(Cl)c1.
What is the InChIKey of (3-chloro-4-fluorophenyl)-(4-cyclopropyloxyphenyl)methanol?
The InChIKey is LPVLKLJSKCKODO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClFO2/c17-14-9-11(3-8-15(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 (3-chloro-4-fluorophenyl)-(4-cyclopropyloxyphenyl)methanol?
(3-chloro-4-fluorophenyl)-(4-cyclopropyloxyphenyl)methanol has a molecular weight of 292.74 g/mol, XLogP of 4.10, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-4-fluorophenyl)-(4-cyclopropyloxyphenyl)methanol is sourced from PubChem (CID 114518680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).