(2-chloro-4-fluorophenyl)-(oxan-3-yl)methanol

C12H14ClFO2 — CID 107136089

IUPAC(2-chloro-4-fluorophenyl)-(oxan-3-yl)methanol
SMILESOC(c1ccc(F)cc1Cl)C1CCCOC1
InChIInChI=1S/C12H14ClFO2/c13-11-6-9(14)3-4-10(11)12(15)8-2-1-5-16-7-8/h3-4,6,8,12,15H,1-2,5,7H2
InChIKeyPVZPQTCMQUEPDR-UHFFFAOYSA-N
MW244.69 g/mol
LogP2.94
Rot. Bonds2

About (2-chloro-4-fluorophenyl)-(oxan-3-yl)methanol

(2-chloro-4-fluorophenyl)-(oxan-3-yl)methanol (PubChem CID 107136089) has the molecular formula C12H14ClFO2 and a molecular weight of 244.69 g/mol. Its IUPAC name is (2-chloro-4-fluorophenyl)-(oxan-3-yl)methanol.

Molecular Properties

Compound Name(2-chloro-4-fluorophenyl)-(oxan-3-yl)methanol
PubChem CID107136089
Molecular FormulaC12H14ClFO2
Molecular Weight244.69 g/mol
Exact Mass244.07
IUPAC Name(2-chloro-4-fluorophenyl)-(oxan-3-yl)methanol
SMILESOC(c1ccc(F)cc1Cl)C1CCCOC1
InChIInChI=1S/C12H14ClFO2/c13-11-6-9(14)3-4-10(11)12(15)8-2-1-5-16-7-8/h3-4,6,8,12,15H,1-2,5,7H2
InChIKeyPVZPQTCMQUEPDR-UHFFFAOYSA-N
XLogP2.94
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.69
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2,4-difluorophenyl)-(oxan-3-yl)methanol
CID 63014562
(5-fluoro-2-methylphenyl)-(oxan-3-yl)methanol
CID 63899537
(2-chloro-4-fluorophenyl)-cyclopropylmethanol
CID 58392404
(2,5-dichlorophenyl)-(oxan-3-yl)methanol
CID 63013314
(3-chloro-4-pyridinyl)-(oxan-3-yl)methanol
CID 107139487
3-[chloro-(2,4-difluorophenyl)methyl]oxane
CID 63014568
(2,3-difluoro-4-methylphenyl)-(oxan-3-yl)methanol
CID 107512213
(2-chlorophenyl)-(oxolan-3-yl)methanol
CID 63564171
3-[bromo-(2,4-difluorophenyl)methyl]oxane
CID 63013323
(2,4-difluoro-5-methylphenyl)-(oxan-3-yl)methanol
CID 79731520
6-chloro-5-[hydroxy(oxan-3-yl)methyl]-1,3-dihydroindol-2-one
CID 63013855
(2-bromo-4-fluorophenyl)-(oxan-3-yl)methanamine
CID 107138851

Frequently Asked Questions

What is the IUPAC name of (2-chloro-4-fluorophenyl)-(oxan-3-yl)methanol?
The IUPAC name of (2-chloro-4-fluorophenyl)-(oxan-3-yl)methanol (CID 107136089) is (2-chloro-4-fluorophenyl)-(oxan-3-yl)methanol.
What is the SMILES notation for (2-chloro-4-fluorophenyl)-(oxan-3-yl)methanol?
The canonical SMILES for (2-chloro-4-fluorophenyl)-(oxan-3-yl)methanol is OC(c1ccc(F)cc1Cl)C1CCCOC1.
What is the InChIKey of (2-chloro-4-fluorophenyl)-(oxan-3-yl)methanol?
The InChIKey is PVZPQTCMQUEPDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClFO2/c13-11-6-9(14)3-4-10(11)12(15)8-2-1-5-16-7-8/h3-4,6,8,12,15H,1-2,5,7H2.
What are the key properties of (2-chloro-4-fluorophenyl)-(oxan-3-yl)methanol?
(2-chloro-4-fluorophenyl)-(oxan-3-yl)methanol has a molecular weight of 244.69 g/mol, XLogP of 2.94, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-4-fluorophenyl)-(oxan-3-yl)methanol is sourced from PubChem (CID 107136089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).