(4-butan-2-ylphenyl)-(2-chloro-4-fluorophenyl)methanol

C17H18ClFO — CID 63426189

IUPAC(4-butan-2-ylphenyl)-(2-chloro-4-fluorophenyl)methanol
SMILESCCC(C)c1ccc(C(O)c2ccc(F)cc2Cl)cc1
InChIInChI=1S/C17H18ClFO/c1-3-11(2)12-4-6-13(7-5-12)17(20)15-9-8-14(19)10-16(15)18/h4-11,17,20H,3H2,1-2H3
InChIKeyFODIZOFDVYFLMN-UHFFFAOYSA-N
MW292.78 g/mol
LogP5.07
Rot. Bonds4

About (4-butan-2-ylphenyl)-(2-chloro-4-fluorophenyl)methanol

(4-butan-2-ylphenyl)-(2-chloro-4-fluorophenyl)methanol (PubChem CID 63426189) has the molecular formula C17H18ClFO and a molecular weight of 292.78 g/mol. Its IUPAC name is (4-butan-2-ylphenyl)-(2-chloro-4-fluorophenyl)methanol.

Molecular Properties

Compound Name(4-butan-2-ylphenyl)-(2-chloro-4-fluorophenyl)methanol
PubChem CID63426189
Molecular FormulaC17H18ClFO
Molecular Weight292.78 g/mol
Exact Mass292.10
IUPAC Name(4-butan-2-ylphenyl)-(2-chloro-4-fluorophenyl)methanol
SMILESCCC(C)c1ccc(C(O)c2ccc(F)cc2Cl)cc1
InChIInChI=1S/C17H18ClFO/c1-3-11(2)12-4-6-13(7-5-12)17(20)15-9-8-14(19)10-16(15)18/h4-11,17,20H,3H2,1-2H3
InChIKeyFODIZOFDVYFLMN-UHFFFAOYSA-N
XLogP5.07
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.78
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(4-butan-2-ylphenyl)-(3-chloro-4-fluorophenyl)methanol
CID 82879198
(2-chloro-4-fluorophenyl)-(3-chloro-4-methoxyphenyl)methanol
CID 61099671
(2-chloro-4-fluorophenyl)-(4-fluoro-3-methylphenyl)methanol
CID 55152989
(2,4-dichlorophenyl)-(4-fluorophenyl)methanol
CID 20506318
(2-chloro-4-fluorophenyl)-(3-fluoro-4-methoxyphenyl)methanol
CID 61081471
1-butan-2-yl-4-fluorobenzene
CID 11829648
1-[(4-butan-2-ylphenyl)-chloromethyl]-2,4-difluorobenzene
CID 63430296
(2-chloro-4-fluorophenyl)-(2,4,6-trifluorophenyl)methanol
CID 61089185
(1S,2R)-1-amino-1-(2-chloro-4-fluorophenyl)butan-2-ol
CID 131038068
1-(4-butan-2-ylphenyl)-1-(2,4-difluorophenyl)-N-methylmethanamine
CID 43483072
(2-ethyl-4-fluorophenyl)-(4-fluorophenyl)methanol
CID 146466403
(3-bromo-4-chlorophenyl)-(4-butan-2-ylphenyl)methanol
CID 107991127

Frequently Asked Questions

What is the IUPAC name of (4-butan-2-ylphenyl)-(2-chloro-4-fluorophenyl)methanol?
The IUPAC name of (4-butan-2-ylphenyl)-(2-chloro-4-fluorophenyl)methanol (CID 63426189) is (4-butan-2-ylphenyl)-(2-chloro-4-fluorophenyl)methanol.
What is the SMILES notation for (4-butan-2-ylphenyl)-(2-chloro-4-fluorophenyl)methanol?
The canonical SMILES for (4-butan-2-ylphenyl)-(2-chloro-4-fluorophenyl)methanol is CCC(C)c1ccc(C(O)c2ccc(F)cc2Cl)cc1.
What is the InChIKey of (4-butan-2-ylphenyl)-(2-chloro-4-fluorophenyl)methanol?
The InChIKey is FODIZOFDVYFLMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClFO/c1-3-11(2)12-4-6-13(7-5-12)17(20)15-9-8-14(19)10-16(15)18/h4-11,17,20H,3H2,1-2H3.
What are the key properties of (4-butan-2-ylphenyl)-(2-chloro-4-fluorophenyl)methanol?
(4-butan-2-ylphenyl)-(2-chloro-4-fluorophenyl)methanol has a molecular weight of 292.78 g/mol, XLogP of 5.07, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-butan-2-ylphenyl)-(2-chloro-4-fluorophenyl)methanol is sourced from PubChem (CID 63426189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).