(3-chloro-4-fluoro-5-propan-2-ylphenyl)methanol

C10H12ClFO — CID 117291228

IUPAC(3-chloro-4-fluoro-5-propan-2-ylphenyl)methanol
SMILESCC(C)c1cc(CO)cc(Cl)c1F
InChIInChI=1S/C10H12ClFO/c1-6(2)8-3-7(5-13)4-9(11)10(8)12/h3-4,6,13H,5H2,1-2H3
InChIKeyDZOWITQAASEVSH-UHFFFAOYSA-N
MW202.66 g/mol
LogP3.09
Rot. Bonds2

About (3-chloro-4-fluoro-5-propan-2-ylphenyl)methanol

(3-chloro-4-fluoro-5-propan-2-ylphenyl)methanol (PubChem CID 117291228) has the molecular formula C10H12ClFO and a molecular weight of 202.66 g/mol. Its IUPAC name is (3-chloro-4-fluoro-5-propan-2-ylphenyl)methanol.

Molecular Properties

Compound Name(3-chloro-4-fluoro-5-propan-2-ylphenyl)methanol
PubChem CID117291228
Molecular FormulaC10H12ClFO
Molecular Weight202.66 g/mol
Exact Mass202.06
IUPAC Name(3-chloro-4-fluoro-5-propan-2-ylphenyl)methanol
SMILESCC(C)c1cc(CO)cc(Cl)c1F
InChIInChI=1S/C10H12ClFO/c1-6(2)8-3-7(5-13)4-9(11)10(8)12/h3-4,6,13H,5H2,1-2H3
InChIKeyDZOWITQAASEVSH-UHFFFAOYSA-N
XLogP3.09
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.66
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1,5-dichloro-2-fluoro-3-propan-2-ylbenzene
CID 118361843
1-chloro-2-fluoro-5-[(4R)-5-fluoro-4-methylpentyl]-3-propan-2-ylbenzene
CID 162179859
(2S)-5-(3-chloro-4-fluoro-5-propan-2-ylphenyl)-N-methylpentan-2-amine
CID 146212837
(2R)-5-(3-chloro-4-fluoro-5-propan-2-ylphenyl)-1,1,1-trifluoropentan-2-amine
CID 139310728
2-(3-chloro-2,5-difluorophenyl)propan-1-ol
CID 117295350
2-(3-chloro-2-fluoro-5-methylphenyl)propan-1-ol
CID 117291192
(3,4,5-trichlorophenyl)methanol
CID 23424143
1-chloro-2-fluoro-5-(3-fluoro-5-methylphenyl)-3-propan-2-ylbenzene
CID 142366544
(3,5-dichloro-4-propan-2-yloxyphenyl)methanol;methane
CID 158865667
(3-fluoro-5-propan-2-ylphenyl)methanol
CID 59192640
[3-(hydroxymethyl)-5-propan-2-ylphenyl]methanol
CID 122692713
3-chloro-4-fluoro-N-[3-(methylamino)-3-oxopropyl]-5-propan-2-ylbenzamide
CID 134581007

Frequently Asked Questions

What is the IUPAC name of (3-chloro-4-fluoro-5-propan-2-ylphenyl)methanol?
The IUPAC name of (3-chloro-4-fluoro-5-propan-2-ylphenyl)methanol (CID 117291228) is (3-chloro-4-fluoro-5-propan-2-ylphenyl)methanol.
What is the SMILES notation for (3-chloro-4-fluoro-5-propan-2-ylphenyl)methanol?
The canonical SMILES for (3-chloro-4-fluoro-5-propan-2-ylphenyl)methanol is CC(C)c1cc(CO)cc(Cl)c1F.
What is the InChIKey of (3-chloro-4-fluoro-5-propan-2-ylphenyl)methanol?
The InChIKey is DZOWITQAASEVSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClFO/c1-6(2)8-3-7(5-13)4-9(11)10(8)12/h3-4,6,13H,5H2,1-2H3.
What are the key properties of (3-chloro-4-fluoro-5-propan-2-ylphenyl)methanol?
(3-chloro-4-fluoro-5-propan-2-ylphenyl)methanol has a molecular weight of 202.66 g/mol, XLogP of 3.09, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-4-fluoro-5-propan-2-ylphenyl)methanol is sourced from PubChem (CID 117291228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).