2-(3-chloro-2-fluoro-4-methoxyphenyl)-2-methylpropan-1-ol

C11H14ClFO2 — CID 117337255

IUPAC2-(3-chloro-2-fluoro-4-methoxyphenyl)-2-methylpropan-1-ol
SMILESCOc1ccc(C(C)(C)CO)c(F)c1Cl
InChIInChI=1S/C11H14ClFO2/c1-11(2,6-14)7-4-5-8(15-3)9(12)10(7)13/h4-5,14H,6H2,1-3H3
InChIKeyZMDGCBYSHXMSFC-UHFFFAOYSA-N
MW232.68 g/mol
LogP2.76
Rot. Bonds3

About 2-(3-chloro-2-fluoro-4-methoxyphenyl)-2-methylpropan-1-ol

2-(3-chloro-2-fluoro-4-methoxyphenyl)-2-methylpropan-1-ol (PubChem CID 117337255) has the molecular formula C11H14ClFO2 and a molecular weight of 232.68 g/mol. Its IUPAC name is 2-(3-chloro-2-fluoro-4-methoxyphenyl)-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-(3-chloro-2-fluoro-4-methoxyphenyl)-2-methylpropan-1-ol
PubChem CID117337255
Molecular FormulaC11H14ClFO2
Molecular Weight232.68 g/mol
Exact Mass232.07
IUPAC Name2-(3-chloro-2-fluoro-4-methoxyphenyl)-2-methylpropan-1-ol
SMILESCOc1ccc(C(C)(C)CO)c(F)c1Cl
InChIInChI=1S/C11H14ClFO2/c1-11(2,6-14)7-4-5-8(15-3)9(12)10(7)13/h4-5,14H,6H2,1-3H3
InChIKeyZMDGCBYSHXMSFC-UHFFFAOYSA-N
XLogP2.76
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.68
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-chloro-2-fluoro-4-methoxyphenyl)methanol
CID 84662935
1-tert-butyl-2-chloro-3-fluoro-4-methoxybenzene
CID 90305817
2-[5-(difluoromethyl)-2-methoxyphenyl]-2-methylpropan-1-ol
CID 117332377
2-(2,3-difluoro-4-methylphenyl)-2-methylpropan-1-ol
CID 117289363
(3-chloro-2-fluoro-4-methoxyphenyl)methanethiol
CID 162205753
2-(3-chloro-4-methoxyphenyl)-2-methylpropan-1-ol
CID 82126929
2-(2,5-dichloro-4-methoxyphenyl)-2-methylpropan-1-ol
CID 82296791
2-[2,4-dimethoxy-3-(methoxymethyl)phenyl]-2-methylpropan-1-ol
CID 117389312
2-(5-bromo-2-fluoro-3-methoxyphenyl)-2-methylpropan-1-ol
CID 117443682
2-[2-methoxy-5-(trifluoromethyl)phenyl]-2-methylpropan-1-ol
CID 117373100
2-(3-fluoro-6-methoxy-2-methylphenyl)-2-methylpropan-1-ol
CID 117303163
6-chloro-3-(1-hydroxy-2-methylpropan-2-yl)-2-methoxyphenol
CID 117333416

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-2-fluoro-4-methoxyphenyl)-2-methylpropan-1-ol?
The IUPAC name of 2-(3-chloro-2-fluoro-4-methoxyphenyl)-2-methylpropan-1-ol (CID 117337255) is 2-(3-chloro-2-fluoro-4-methoxyphenyl)-2-methylpropan-1-ol.
What is the SMILES notation for 2-(3-chloro-2-fluoro-4-methoxyphenyl)-2-methylpropan-1-ol?
The canonical SMILES for 2-(3-chloro-2-fluoro-4-methoxyphenyl)-2-methylpropan-1-ol is COc1ccc(C(C)(C)CO)c(F)c1Cl.
What is the InChIKey of 2-(3-chloro-2-fluoro-4-methoxyphenyl)-2-methylpropan-1-ol?
The InChIKey is ZMDGCBYSHXMSFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClFO2/c1-11(2,6-14)7-4-5-8(15-3)9(12)10(7)13/h4-5,14H,6H2,1-3H3.
What are the key properties of 2-(3-chloro-2-fluoro-4-methoxyphenyl)-2-methylpropan-1-ol?
2-(3-chloro-2-fluoro-4-methoxyphenyl)-2-methylpropan-1-ol has a molecular weight of 232.68 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-2-fluoro-4-methoxyphenyl)-2-methylpropan-1-ol is sourced from PubChem (CID 117337255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).