[2-chloro-4-(difluoromethoxy)-5-methylphenyl]methanol

C9H9ClF2O2 — CID 164895571

IUPAC[2-chloro-4-(difluoromethoxy)-5-methylphenyl]methanol
SMILESCc1cc(CO)c(Cl)cc1OC(F)F
InChIInChI=1S/C9H9ClF2O2/c1-5-2-6(4-13)7(10)3-8(5)14-9(11)12/h2-3,9,13H,4H2,1H3
InChIKeyAPNJEWFGYQBRQO-UHFFFAOYSA-N
MW222.62 g/mol
LogP2.74
Rot. Bonds3

About [2-chloro-4-(difluoromethoxy)-5-methylphenyl]methanol

[2-chloro-4-(difluoromethoxy)-5-methylphenyl]methanol (PubChem CID 164895571) has the molecular formula C9H9ClF2O2 and a molecular weight of 222.62 g/mol. Its IUPAC name is [2-chloro-4-(difluoromethoxy)-5-methylphenyl]methanol.

Molecular Properties

Compound Name[2-chloro-4-(difluoromethoxy)-5-methylphenyl]methanol
PubChem CID164895571
Molecular FormulaC9H9ClF2O2
Molecular Weight222.62 g/mol
Exact Mass222.03
IUPAC Name[2-chloro-4-(difluoromethoxy)-5-methylphenyl]methanol
SMILESCc1cc(CO)c(Cl)cc1OC(F)F
InChIInChI=1S/C9H9ClF2O2/c1-5-2-6(4-13)7(10)3-8(5)14-9(11)12/h2-3,9,13H,4H2,1H3
InChIKeyAPNJEWFGYQBRQO-UHFFFAOYSA-N
XLogP2.74
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.62
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,2-dichloro-4-(difluoromethoxy)-5-methylbenzene
CID 118812254
2-[2-(chloromethyl)-5-(difluoromethoxy)-4-methylphenyl]acetic acid
CID 171022072
1-chloro-5-(difluoromethoxy)-2-methyl-4-(trifluoromethyl)benzene
CID 171004612
1-chloro-5-(difluoromethoxy)-4-methyl-2-nitrobenzene
CID 118850656
2-[5-chloro-2-(difluoromethoxy)-4-methylphenyl]acetic acid
CID 171005300
2-[4-(difluoromethoxy)-2-formyl-5-methylphenyl]acetic acid
CID 171032111
1-[4-chloro-2-(difluoromethoxy)-5-methylphenyl]ethanone
CID 171006406
[2-chloro-3-(difluoromethoxy)phenyl]methanol
CID 118270193
ethyl 2-[5-(bromomethyl)-2-chloro-4-(difluoromethoxy)phenyl]acetate
CID 171012483
[2-(difluoromethoxy)-4-(2-methylphenyl)phenyl]methanol
CID 171382943
methyl 2-(chloromethyl)-4-(difluoromethoxy)-5-methylbenzoate
CID 171020042
ethyl 4,5-dichloro-2-(difluoromethoxy)benzoate
CID 121228210

Frequently Asked Questions

What is the IUPAC name of [2-chloro-4-(difluoromethoxy)-5-methylphenyl]methanol?
The IUPAC name of [2-chloro-4-(difluoromethoxy)-5-methylphenyl]methanol (CID 164895571) is [2-chloro-4-(difluoromethoxy)-5-methylphenyl]methanol.
What is the SMILES notation for [2-chloro-4-(difluoromethoxy)-5-methylphenyl]methanol?
The canonical SMILES for [2-chloro-4-(difluoromethoxy)-5-methylphenyl]methanol is Cc1cc(CO)c(Cl)cc1OC(F)F.
What is the InChIKey of [2-chloro-4-(difluoromethoxy)-5-methylphenyl]methanol?
The InChIKey is APNJEWFGYQBRQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClF2O2/c1-5-2-6(4-13)7(10)3-8(5)14-9(11)12/h2-3,9,13H,4H2,1H3.
What are the key properties of [2-chloro-4-(difluoromethoxy)-5-methylphenyl]methanol?
[2-chloro-4-(difluoromethoxy)-5-methylphenyl]methanol has a molecular weight of 222.62 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-chloro-4-(difluoromethoxy)-5-methylphenyl]methanol is sourced from PubChem (CID 164895571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).