(4-tert-butylcyclohexyl)-(2-chloro-4-fluoro-5-methylphenyl)methanol

C18H26ClFO — CID 81050009

IUPAC(4-tert-butylcyclohexyl)-(2-chloro-4-fluoro-5-methylphenyl)methanol
SMILESCc1cc(C(O)C2CCC(C(C)(C)C)CC2)c(Cl)cc1F
InChIInChI=1S/C18H26ClFO/c1-11-9-14(15(19)10-16(11)20)17(21)12-5-7-13(8-6-12)18(2,3)4/h9-10,12-13,17,21H,5-8H2,1-4H3
InChIKeySUDDZRILSRASQB-UHFFFAOYSA-N
MW312.86 g/mol
LogP5.67
Rot. Bonds2

About (4-tert-butylcyclohexyl)-(2-chloro-4-fluoro-5-methylphenyl)methanol

(4-tert-butylcyclohexyl)-(2-chloro-4-fluoro-5-methylphenyl)methanol (PubChem CID 81050009) has the molecular formula C18H26ClFO and a molecular weight of 312.86 g/mol. Its IUPAC name is (4-tert-butylcyclohexyl)-(2-chloro-4-fluoro-5-methylphenyl)methanol.

Molecular Properties

Compound Name(4-tert-butylcyclohexyl)-(2-chloro-4-fluoro-5-methylphenyl)methanol
PubChem CID81050009
Molecular FormulaC18H26ClFO
Molecular Weight312.86 g/mol
Exact Mass312.17
IUPAC Name(4-tert-butylcyclohexyl)-(2-chloro-4-fluoro-5-methylphenyl)methanol
SMILESCc1cc(C(O)C2CCC(C(C)(C)C)CC2)c(Cl)cc1F
InChIInChI=1S/C18H26ClFO/c1-11-9-14(15(19)10-16(11)20)17(21)12-5-7-13(8-6-12)18(2,3)4/h9-10,12-13,17,21H,5-8H2,1-4H3
InChIKeySUDDZRILSRASQB-UHFFFAOYSA-N
XLogP5.67
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.86
LogP ≤ 55.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(4-tert-butylcyclohexyl)-(2-chloro-4,5-difluorophenyl)methanol
CID 107477167
1-[bromo-(4-tert-butylcyclohexyl)methyl]-2,4-difluoro-5-methylbenzene
CID 79725017
1-(2-chloro-4-fluoro-5-methylphenyl)-3,3,3-trifluoropropan-1-ol
CID 81046025
(4-tert-butylcyclohexyl)-(2-methylphenyl)methanol
CID 65403189
(2-chloro-4-fluoro-5-methylphenyl)-(2,2,3,3-tetramethylcyclopropyl)methanol
CID 81045779
(2,4-difluoro-5-methylphenyl)-(4-ethylcyclohexyl)methanol
CID 115807295
1-(2-chloro-4-fluoro-5-methylphenyl)-1-cyclopropyl-N-methylmethanamine
CID 81045986
1-(2-chloro-4-fluoro-5-methylphenyl)propan-1-ol
CID 81045937
(3-bromo-2-fluorophenyl)-(4-tert-butylcyclohexyl)methanol
CID 106644575
1-(2-chloro-4-fluoro-5-methylphenyl)-2,2-difluoroethanol
CID 104632767
1-(2-chloro-4-fluoro-5-methylphenyl)-3-methylbutan-1-ol
CID 81045782
(2,4-difluoro-5-methylphenyl)-(3,4-dimethylcyclohexyl)methanol
CID 115806125

Frequently Asked Questions

What is the IUPAC name of (4-tert-butylcyclohexyl)-(2-chloro-4-fluoro-5-methylphenyl)methanol?
The IUPAC name of (4-tert-butylcyclohexyl)-(2-chloro-4-fluoro-5-methylphenyl)methanol (CID 81050009) is (4-tert-butylcyclohexyl)-(2-chloro-4-fluoro-5-methylphenyl)methanol.
What is the SMILES notation for (4-tert-butylcyclohexyl)-(2-chloro-4-fluoro-5-methylphenyl)methanol?
The canonical SMILES for (4-tert-butylcyclohexyl)-(2-chloro-4-fluoro-5-methylphenyl)methanol is Cc1cc(C(O)C2CCC(C(C)(C)C)CC2)c(Cl)cc1F.
What is the InChIKey of (4-tert-butylcyclohexyl)-(2-chloro-4-fluoro-5-methylphenyl)methanol?
The InChIKey is SUDDZRILSRASQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26ClFO/c1-11-9-14(15(19)10-16(11)20)17(21)12-5-7-13(8-6-12)18(2,3)4/h9-10,12-13,17,21H,5-8H2,1-4H3.
What are the key properties of (4-tert-butylcyclohexyl)-(2-chloro-4-fluoro-5-methylphenyl)methanol?
(4-tert-butylcyclohexyl)-(2-chloro-4-fluoro-5-methylphenyl)methanol has a molecular weight of 312.86 g/mol, XLogP of 5.67, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-tert-butylcyclohexyl)-(2-chloro-4-fluoro-5-methylphenyl)methanol is sourced from PubChem (CID 81050009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).