(4-butylphenyl)-(2-fluoro-5-methylphenyl)methanol

C18H21FO — CID 63426915

IUPAC(4-butylphenyl)-(2-fluoro-5-methylphenyl)methanol
SMILESCCCCc1ccc(C(O)c2cc(C)ccc2F)cc1
InChIInChI=1S/C18H21FO/c1-3-4-5-14-7-9-15(10-8-14)18(20)16-12-13(2)6-11-17(16)19/h6-12,18,20H,3-5H2,1-2H3
InChIKeyFNHIDUCTJFZTGF-UHFFFAOYSA-N
MW272.36 g/mol
LogP4.56
Rot. Bonds5

About (4-butylphenyl)-(2-fluoro-5-methylphenyl)methanol

(4-butylphenyl)-(2-fluoro-5-methylphenyl)methanol (PubChem CID 63426915) has the molecular formula C18H21FO and a molecular weight of 272.36 g/mol. Its IUPAC name is (4-butylphenyl)-(2-fluoro-5-methylphenyl)methanol.

Molecular Properties

Compound Name(4-butylphenyl)-(2-fluoro-5-methylphenyl)methanol
PubChem CID63426915
Molecular FormulaC18H21FO
Molecular Weight272.36 g/mol
Exact Mass272.16
IUPAC Name(4-butylphenyl)-(2-fluoro-5-methylphenyl)methanol
SMILESCCCCc1ccc(C(O)c2cc(C)ccc2F)cc1
InChIInChI=1S/C18H21FO/c1-3-4-5-14-7-9-15(10-8-14)18(20)16-12-13(2)6-11-17(16)19/h6-12,18,20H,3-5H2,1-2H3
InChIKeyFNHIDUCTJFZTGF-UHFFFAOYSA-N
XLogP4.56
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.36
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2-bromo-5-methylphenyl)-(4-butylphenyl)methanol
CID 81112230
(4-butylphenyl)-(2,4-dimethylphenyl)methanol
CID 63426615
(2-bromo-4-fluorophenyl)-(4-butylphenyl)methanol
CID 63427122
(4-butylphenyl)-(3-chloro-5-methylphenyl)methanol
CID 81324875
(2-fluoro-5-methylphenyl)-(3,4,5-trifluorophenyl)methanol
CID 62790310
1-(2-fluoro-5-methylphenyl)undecan-1-ol
CID 115789089
(2-fluorophenyl)-(4-propylphenyl)methanol
CID 61087386
2-[(4-butylphenyl)-chloromethyl]-4-chloro-1-fluorobenzene
CID 63431641
(4-butylphenyl)-(2-methylfuran-3-yl)methanol
CID 61089435
[(2-fluoro-5-methylphenyl)-(4-propylphenyl)methyl]hydrazine
CID 105303758
bis(4-tridecylphenyl)methanol
CID 139673626
(2-bromo-5-methylphenyl)-(4-butylphenyl)methanamine
CID 81111134

Frequently Asked Questions

What is the IUPAC name of (4-butylphenyl)-(2-fluoro-5-methylphenyl)methanol?
The IUPAC name of (4-butylphenyl)-(2-fluoro-5-methylphenyl)methanol (CID 63426915) is (4-butylphenyl)-(2-fluoro-5-methylphenyl)methanol.
What is the SMILES notation for (4-butylphenyl)-(2-fluoro-5-methylphenyl)methanol?
The canonical SMILES for (4-butylphenyl)-(2-fluoro-5-methylphenyl)methanol is CCCCc1ccc(C(O)c2cc(C)ccc2F)cc1.
What is the InChIKey of (4-butylphenyl)-(2-fluoro-5-methylphenyl)methanol?
The InChIKey is FNHIDUCTJFZTGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FO/c1-3-4-5-14-7-9-15(10-8-14)18(20)16-12-13(2)6-11-17(16)19/h6-12,18,20H,3-5H2,1-2H3.
What are the key properties of (4-butylphenyl)-(2-fluoro-5-methylphenyl)methanol?
(4-butylphenyl)-(2-fluoro-5-methylphenyl)methanol has a molecular weight of 272.36 g/mol, XLogP of 4.56, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-butylphenyl)-(2-fluoro-5-methylphenyl)methanol is sourced from PubChem (CID 63426915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).