(2-chloro-4-fluoro-5-methylphenyl)-(2,2,3,3-tetramethylcyclopropyl)methanol

C15H20ClFO — CID 81045779

IUPAC(2-chloro-4-fluoro-5-methylphenyl)-(2,2,3,3-tetramethylcyclopropyl)methanol
SMILESCc1cc(C(O)C2C(C)(C)C2(C)C)c(Cl)cc1F
InChIInChI=1S/C15H20ClFO/c1-8-6-9(10(16)7-11(8)17)12(18)13-14(2,3)15(13,4)5/h6-7,12-13,18H,1-5H3
InChIKeyGIIDYRLLLMSHJA-UHFFFAOYSA-N
MW270.77 g/mol
LogP4.50
Rot. Bonds2

About (2-chloro-4-fluoro-5-methylphenyl)-(2,2,3,3-tetramethylcyclopropyl)methanol

(2-chloro-4-fluoro-5-methylphenyl)-(2,2,3,3-tetramethylcyclopropyl)methanol (PubChem CID 81045779) has the molecular formula C15H20ClFO and a molecular weight of 270.77 g/mol. Its IUPAC name is (2-chloro-4-fluoro-5-methylphenyl)-(2,2,3,3-tetramethylcyclopropyl)methanol.

Molecular Properties

Compound Name(2-chloro-4-fluoro-5-methylphenyl)-(2,2,3,3-tetramethylcyclopropyl)methanol
PubChem CID81045779
Molecular FormulaC15H20ClFO
Molecular Weight270.77 g/mol
Exact Mass270.12
IUPAC Name(2-chloro-4-fluoro-5-methylphenyl)-(2,2,3,3-tetramethylcyclopropyl)methanol
SMILESCc1cc(C(O)C2C(C)(C)C2(C)C)c(Cl)cc1F
InChIInChI=1S/C15H20ClFO/c1-8-6-9(10(16)7-11(8)17)12(18)13-14(2,3)15(13,4)5/h6-7,12-13,18H,1-5H3
InChIKeyGIIDYRLLLMSHJA-UHFFFAOYSA-N
XLogP4.50
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.77
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-chloro-4-fluoro-5-methylphenyl)-2,2-difluoroethanol
CID 104632767
1-(2-chloro-4-fluoro-5-methylphenyl)propan-1-ol
CID 81045937
1-chloro-5-fluoro-4-methyl-2-propan-2-ylbenzene
CID 59135078
(4-tert-butylcyclohexyl)-(2-chloro-4-fluoro-5-methylphenyl)methanol
CID 81050009
(2-chloro-4-fluoro-5-methylphenyl)-(2-fluorophenyl)methanol
CID 81045704
1-(2-chloro-4-fluoro-5-methylphenyl)-3-methylbutan-1-ol
CID 81045782
(2,4-difluoro-5-methylphenyl)-(2,2,3,3-tetramethylcyclopropyl)methanamine
CID 79724121
(2-chloro-4-fluoro-5-methylphenyl)-(2-chloro-4-methylphenyl)methanol
CID 106862791
(2-chloro-4-fluoro-5-methylphenyl)-(2-fluoro-5-methylphenyl)methanol
CID 81045090
1-(2-chloro-4-fluoro-5-methylphenyl)-3,3,3-trifluoropropan-1-ol
CID 81046025
(2-chloro-4-fluoro-5-methylphenyl)-(2,5-dimethylphenyl)methanol
CID 81050730
(2-chloro-4-fluoro-5-methylphenyl)-(2,3-dimethylphenyl)methanol
CID 81050964

Frequently Asked Questions

What is the IUPAC name of (2-chloro-4-fluoro-5-methylphenyl)-(2,2,3,3-tetramethylcyclopropyl)methanol?
The IUPAC name of (2-chloro-4-fluoro-5-methylphenyl)-(2,2,3,3-tetramethylcyclopropyl)methanol (CID 81045779) is (2-chloro-4-fluoro-5-methylphenyl)-(2,2,3,3-tetramethylcyclopropyl)methanol.
What is the SMILES notation for (2-chloro-4-fluoro-5-methylphenyl)-(2,2,3,3-tetramethylcyclopropyl)methanol?
The canonical SMILES for (2-chloro-4-fluoro-5-methylphenyl)-(2,2,3,3-tetramethylcyclopropyl)methanol is Cc1cc(C(O)C2C(C)(C)C2(C)C)c(Cl)cc1F.
What is the InChIKey of (2-chloro-4-fluoro-5-methylphenyl)-(2,2,3,3-tetramethylcyclopropyl)methanol?
The InChIKey is GIIDYRLLLMSHJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClFO/c1-8-6-9(10(16)7-11(8)17)12(18)13-14(2,3)15(13,4)5/h6-7,12-13,18H,1-5H3.
What are the key properties of (2-chloro-4-fluoro-5-methylphenyl)-(2,2,3,3-tetramethylcyclopropyl)methanol?
(2-chloro-4-fluoro-5-methylphenyl)-(2,2,3,3-tetramethylcyclopropyl)methanol has a molecular weight of 270.77 g/mol, XLogP of 4.50, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-4-fluoro-5-methylphenyl)-(2,2,3,3-tetramethylcyclopropyl)methanol is sourced from PubChem (CID 81045779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).