(4-butylcyclohexyl)-(5-fluoro-2-methoxyphenyl)methanol

C18H27FO2 — CID 63426635

IUPAC(4-butylcyclohexyl)-(5-fluoro-2-methoxyphenyl)methanol
SMILESCCCCC1CCC(C(O)c2cc(F)ccc2OC)CC1
InChIInChI=1S/C18H27FO2/c1-3-4-5-13-6-8-14(9-7-13)18(20)16-12-15(19)10-11-17(16)21-2/h10-14,18,20H,3-9H2,1-2H3
InChIKeyRNDGMQUCSDAXGO-UHFFFAOYSA-N
MW294.41 g/mol
LogP4.86
Rot. Bonds6

About (4-butylcyclohexyl)-(5-fluoro-2-methoxyphenyl)methanol

(4-butylcyclohexyl)-(5-fluoro-2-methoxyphenyl)methanol (PubChem CID 63426635) has the molecular formula C18H27FO2 and a molecular weight of 294.41 g/mol. Its IUPAC name is (4-butylcyclohexyl)-(5-fluoro-2-methoxyphenyl)methanol.

Molecular Properties

Compound Name(4-butylcyclohexyl)-(5-fluoro-2-methoxyphenyl)methanol
PubChem CID63426635
Molecular FormulaC18H27FO2
Molecular Weight294.41 g/mol
Exact Mass294.20
IUPAC Name(4-butylcyclohexyl)-(5-fluoro-2-methoxyphenyl)methanol
SMILESCCCCC1CCC(C(O)c2cc(F)ccc2OC)CC1
InChIInChI=1S/C18H27FO2/c1-3-4-5-13-6-8-14(9-7-13)18(20)16-12-15(19)10-11-17(16)21-2/h10-14,18,20H,3-9H2,1-2H3
InChIKeyRNDGMQUCSDAXGO-UHFFFAOYSA-N
XLogP4.86
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.41
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-bromo-4-methoxyphenyl)-(4-butylcyclohexyl)methanol
CID 63428449
(4,4-difluorocyclohexyl)-(5-fluoro-2-methoxyphenyl)methanol
CID 105122331
(4-butylcyclohexyl)-(3-fluorophenyl)methanol
CID 114978561
4-bromo-2-[(4-butylcyclohexyl)-chloromethyl]-1-methoxybenzene
CID 63427364
(1R)-1-(5-fluoro-2-methoxyphenyl)propan-1-ol
CID 79002413
(4-butylcyclohexyl)-(2,5-difluorophenyl)methanamine
CID 43100104
4-[2-(4-butylcyclohexyl)propyl]-2-fluoro-1-methoxybenzene
CID 139708741
1-[(4-butylcyclohexyl)methoxy]-2,4-difluorobenzene
CID 67806514
(2,5-dimethoxyphenyl)-(3-ethylcyclopentyl)methanol
CID 65411524
tert-butyl 3-[(5-fluoro-2-methoxyphenyl)-hydroxymethyl]pyrrolidine-1-carboxylate
CID 107093000
2-(cyclopropylamino)-1-(5-fluoro-2-methoxyphenyl)ethanol
CID 79017552
(3-bromo-4-fluorophenyl)-(4-butylcyclohexyl)methanol
CID 79747124

Frequently Asked Questions

What is the IUPAC name of (4-butylcyclohexyl)-(5-fluoro-2-methoxyphenyl)methanol?
The IUPAC name of (4-butylcyclohexyl)-(5-fluoro-2-methoxyphenyl)methanol (CID 63426635) is (4-butylcyclohexyl)-(5-fluoro-2-methoxyphenyl)methanol.
What is the SMILES notation for (4-butylcyclohexyl)-(5-fluoro-2-methoxyphenyl)methanol?
The canonical SMILES for (4-butylcyclohexyl)-(5-fluoro-2-methoxyphenyl)methanol is CCCCC1CCC(C(O)c2cc(F)ccc2OC)CC1.
What is the InChIKey of (4-butylcyclohexyl)-(5-fluoro-2-methoxyphenyl)methanol?
The InChIKey is RNDGMQUCSDAXGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27FO2/c1-3-4-5-13-6-8-14(9-7-13)18(20)16-12-15(19)10-11-17(16)21-2/h10-14,18,20H,3-9H2,1-2H3.
What are the key properties of (4-butylcyclohexyl)-(5-fluoro-2-methoxyphenyl)methanol?
(4-butylcyclohexyl)-(5-fluoro-2-methoxyphenyl)methanol has a molecular weight of 294.41 g/mol, XLogP of 4.86, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-butylcyclohexyl)-(5-fluoro-2-methoxyphenyl)methanol is sourced from PubChem (CID 63426635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).