(3-chloro-5-fluorophenyl)-(3-cyclopropyloxyphenyl)methanol

C16H14ClFO2 — CID 114521051

IUPAC(3-chloro-5-fluorophenyl)-(3-cyclopropyloxyphenyl)methanol
SMILESOC(c1cc(F)cc(Cl)c1)c1cccc(OC2CC2)c1
InChIInChI=1S/C16H14ClFO2/c17-12-6-11(7-13(18)9-12)16(19)10-2-1-3-15(8-10)20-14-4-5-14/h1-3,6-9,14,16,19H,4-5H2
InChIKeyYIGHRSBWYUJTEH-UHFFFAOYSA-N
MW292.74 g/mol
LogP4.10
Rot. Bonds4

About (3-chloro-5-fluorophenyl)-(3-cyclopropyloxyphenyl)methanol

(3-chloro-5-fluorophenyl)-(3-cyclopropyloxyphenyl)methanol (PubChem CID 114521051) has the molecular formula C16H14ClFO2 and a molecular weight of 292.74 g/mol. Its IUPAC name is (3-chloro-5-fluorophenyl)-(3-cyclopropyloxyphenyl)methanol.

Molecular Properties

Compound Name(3-chloro-5-fluorophenyl)-(3-cyclopropyloxyphenyl)methanol
PubChem CID114521051
Molecular FormulaC16H14ClFO2
Molecular Weight292.74 g/mol
Exact Mass292.07
IUPAC Name(3-chloro-5-fluorophenyl)-(3-cyclopropyloxyphenyl)methanol
SMILESOC(c1cc(F)cc(Cl)c1)c1cccc(OC2CC2)c1
InChIInChI=1S/C16H14ClFO2/c17-12-6-11(7-13(18)9-12)16(19)10-2-1-3-15(8-10)20-14-4-5-14/h1-3,6-9,14,16,19H,4-5H2
InChIKeyYIGHRSBWYUJTEH-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

(3-cyclopropyloxyphenyl)-(3,5-difluorophenyl)methanol
CID 114521308
(R)-(3-chloro-5-fluorophenyl)-(3-fluorophenyl)methanol
CID 7146499
(S)-(3-chloro-5-fluorophenyl)-(3-chlorophenyl)methanol
CID 7153369
(3-cyclopropyloxyphenyl)-(3-iodophenyl)methanol
CID 115838435
(3-cyclopropyloxyphenyl)-(3-cyclopropylphenyl)methanol
CID 114520953
(3-cyclopropyloxyphenyl)-(3,5-difluorophenyl)methanamine
CID 114521611
(3-chlorophenyl)-(3,5-difluorophenyl)methanol
CID 2757448
(3-cyclopropyloxyphenyl)-(4-methylsulfanylphenyl)methanol
CID 115838445
(3-cyclopropyloxyphenyl)-(5-fluoro-2-pyridinyl)methanol
CID 114521398
(2-bromo-4-fluorophenyl)-(3-cyclopropyloxyphenyl)methanol
CID 115838473
(5-chloro-1,3-thiazol-2-yl)-(3-cyclopropyloxyphenyl)methanol
CID 107124992
3-[(3-cyclopropyloxyphenyl)-hydroxymethyl]benzonitrile
CID 114520992

Frequently Asked Questions

What is the IUPAC name of (3-chloro-5-fluorophenyl)-(3-cyclopropyloxyphenyl)methanol?
The IUPAC name of (3-chloro-5-fluorophenyl)-(3-cyclopropyloxyphenyl)methanol (CID 114521051) is (3-chloro-5-fluorophenyl)-(3-cyclopropyloxyphenyl)methanol.
What is the SMILES notation for (3-chloro-5-fluorophenyl)-(3-cyclopropyloxyphenyl)methanol?
The canonical SMILES for (3-chloro-5-fluorophenyl)-(3-cyclopropyloxyphenyl)methanol is OC(c1cc(F)cc(Cl)c1)c1cccc(OC2CC2)c1.
What is the InChIKey of (3-chloro-5-fluorophenyl)-(3-cyclopropyloxyphenyl)methanol?
The InChIKey is YIGHRSBWYUJTEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClFO2/c17-12-6-11(7-13(18)9-12)16(19)10-2-1-3-15(8-10)20-14-4-5-14/h1-3,6-9,14,16,19H,4-5H2.
What are the key properties of (3-chloro-5-fluorophenyl)-(3-cyclopropyloxyphenyl)methanol?
(3-chloro-5-fluorophenyl)-(3-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-5-fluorophenyl)-(3-cyclopropyloxyphenyl)methanol is sourced from PubChem (CID 114521051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).