(4-butylcyclohexyl)-(3-fluorophenyl)methanol

C17H25FO — CID 114978561

IUPAC(4-butylcyclohexyl)-(3-fluorophenyl)methanol
SMILESCCCCC1CCC(C(O)c2cccc(F)c2)CC1
InChIInChI=1S/C17H25FO/c1-2-3-5-13-8-10-14(11-9-13)17(19)15-6-4-7-16(18)12-15/h4,6-7,12-14,17,19H,2-3,5,8-11H2,1H3
InChIKeyWYJNYEPBDLKXPC-UHFFFAOYSA-N
MW264.38 g/mol
LogP4.86
Rot. Bonds5

About (4-butylcyclohexyl)-(3-fluorophenyl)methanol

(4-butylcyclohexyl)-(3-fluorophenyl)methanol (PubChem CID 114978561) has the molecular formula C17H25FO and a molecular weight of 264.38 g/mol. Its IUPAC name is (4-butylcyclohexyl)-(3-fluorophenyl)methanol.

Molecular Properties

Compound Name(4-butylcyclohexyl)-(3-fluorophenyl)methanol
PubChem CID114978561
Molecular FormulaC17H25FO
Molecular Weight264.38 g/mol
Exact Mass264.19
IUPAC Name(4-butylcyclohexyl)-(3-fluorophenyl)methanol
SMILESCCCCC1CCC(C(O)c2cccc(F)c2)CC1
InChIInChI=1S/C17H25FO/c1-2-3-5-13-8-10-14(11-9-13)17(19)15-6-4-7-16(18)12-15/h4,6-7,12-14,17,19H,2-3,5,8-11H2,1H3
InChIKeyWYJNYEPBDLKXPC-UHFFFAOYSA-N
XLogP4.86
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.38
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(4-butylcyclohexyl)-(3-methylphenyl)methanol
CID 114978020
(3-bromo-4-fluorophenyl)-(4-butylcyclohexyl)methanol
CID 79747124
(4-butylcyclohexyl)-(4-chlorophenyl)methanol
CID 63426121
(4-butylcyclohexyl)-(5-fluoro-2-methoxyphenyl)methanol
CID 63426635
N-[(3-fluorophenyl)-(4-propylcyclohexyl)methyl]ethanamine
CID 65423582
[(3-fluorophenyl)-(4-propylcyclohexyl)methyl]hydrazine
CID 105232271
(3-bromo-4-methoxyphenyl)-(4-butylcyclohexyl)methanol
CID 63428449
1-[4-[3-(4-butylcyclohexyl)propyl]cyclohexyl]-3-fluorobenzene
CID 139725252
1-(3-fluorophenyl)hexan-1-ol
CID 62607026
N-[2-amino-1-(3-fluorophenyl)-2-oxoethyl]-4-butyl-N-methylcyclohexane-1-carboxamide
CID 56569745
(4-butylcyclohexyl)-(2,5-difluorophenyl)methanamine
CID 43100104
(S)-(3-fluorophenyl)-[(2R,5R)-5-propylpyrrolidin-2-yl]methanol
CID 138473395

Frequently Asked Questions

What is the IUPAC name of (4-butylcyclohexyl)-(3-fluorophenyl)methanol?
The IUPAC name of (4-butylcyclohexyl)-(3-fluorophenyl)methanol (CID 114978561) is (4-butylcyclohexyl)-(3-fluorophenyl)methanol.
What is the SMILES notation for (4-butylcyclohexyl)-(3-fluorophenyl)methanol?
The canonical SMILES for (4-butylcyclohexyl)-(3-fluorophenyl)methanol is CCCCC1CCC(C(O)c2cccc(F)c2)CC1.
What is the InChIKey of (4-butylcyclohexyl)-(3-fluorophenyl)methanol?
The InChIKey is WYJNYEPBDLKXPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FO/c1-2-3-5-13-8-10-14(11-9-13)17(19)15-6-4-7-16(18)12-15/h4,6-7,12-14,17,19H,2-3,5,8-11H2,1H3.
What are the key properties of (4-butylcyclohexyl)-(3-fluorophenyl)methanol?
(4-butylcyclohexyl)-(3-fluorophenyl)methanol has a molecular weight of 264.38 g/mol, XLogP of 4.86, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-butylcyclohexyl)-(3-fluorophenyl)methanol is sourced from PubChem (CID 114978561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).