1-[(5-fluoro-2-methoxyphenyl)-hydroxymethyl]-4-methylcyclohexan-1-ol

C15H21FO3 — CID 103452335

IUPAC1-[(5-fluoro-2-methoxyphenyl)-hydroxymethyl]-4-methylcyclohexan-1-ol
SMILESCOc1ccc(F)cc1C(O)C1(O)CCC(C)CC1
InChIInChI=1S/C15H21FO3/c1-10-5-7-15(18,8-6-10)14(17)12-9-11(16)3-4-13(12)19-2/h3-4,9-10,14,17-18H,5-8H2,1-2H3
InChIKeyYJZPYIBPDLZOKP-UHFFFAOYSA-N
MW268.33 g/mol
LogP2.81
Rot. Bonds3

About 1-[(5-fluoro-2-methoxyphenyl)-hydroxymethyl]-4-methylcyclohexan-1-ol

1-[(5-fluoro-2-methoxyphenyl)-hydroxymethyl]-4-methylcyclohexan-1-ol (PubChem CID 103452335) has the molecular formula C15H21FO3 and a molecular weight of 268.33 g/mol. Its IUPAC name is 1-[(5-fluoro-2-methoxyphenyl)-hydroxymethyl]-4-methylcyclohexan-1-ol.

Molecular Properties

Compound Name1-[(5-fluoro-2-methoxyphenyl)-hydroxymethyl]-4-methylcyclohexan-1-ol
PubChem CID103452335
Molecular FormulaC15H21FO3
Molecular Weight268.33 g/mol
Exact Mass268.15
IUPAC Name1-[(5-fluoro-2-methoxyphenyl)-hydroxymethyl]-4-methylcyclohexan-1-ol
SMILESCOc1ccc(F)cc1C(O)C1(O)CCC(C)CC1
InChIInChI=1S/C15H21FO3/c1-10-5-7-15(18,8-6-10)14(17)12-9-11(16)3-4-13(12)19-2/h3-4,9-10,14,17-18H,5-8H2,1-2H3
InChIKeyYJZPYIBPDLZOKP-UHFFFAOYSA-N
XLogP2.81
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.33
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(dimethylamino)-4-methylcyclohexyl]-(5-fluoro-2-methoxyphenyl)methanol
CID 82771557
1-[(2,4-difluorophenyl)-hydroxymethyl]-4-methylcyclohexan-1-ol
CID 103452503
(5-fluoro-2-methoxyphenyl)-(1-phenylcyclopropyl)methanol
CID 62881250
[1-(dimethylamino)cyclohexyl]-(5-fluoro-2-methoxyphenyl)methanol
CID 82769611
(4,4-difluorocyclohexyl)-(5-fluoro-2-methoxyphenyl)methanol
CID 105122331
1-[(2-fluoro-5-methylphenyl)-hydroxymethyl]-4-methylcyclohexan-1-ol
CID 103452318
1-[(2,5-dimethoxyphenyl)-hydroxymethyl]cyclopentan-1-ol
CID 103448378
(5-fluoro-2-methoxyphenyl)-(2-methylcyclopentyl)methanamine
CID 107177071
(1R)-1-(5-fluoro-2-methoxyphenyl)ethanol
CID 26597266
(5-fluoro-2-methoxyphenyl)-(3-methylcyclohexyl)methanamine
CID 82769188
(1S,2R)-1-amino-1-(5-fluoro-2-methoxyphenyl)propan-2-ol
CID 96620692
(1S)-1-amino-1-(5-fluoro-2-methoxyphenyl)propan-2-ol
CID 131150420

Frequently Asked Questions

What is the IUPAC name of 1-[(5-fluoro-2-methoxyphenyl)-hydroxymethyl]-4-methylcyclohexan-1-ol?
The IUPAC name of 1-[(5-fluoro-2-methoxyphenyl)-hydroxymethyl]-4-methylcyclohexan-1-ol (CID 103452335) is 1-[(5-fluoro-2-methoxyphenyl)-hydroxymethyl]-4-methylcyclohexan-1-ol.
What is the SMILES notation for 1-[(5-fluoro-2-methoxyphenyl)-hydroxymethyl]-4-methylcyclohexan-1-ol?
The canonical SMILES for 1-[(5-fluoro-2-methoxyphenyl)-hydroxymethyl]-4-methylcyclohexan-1-ol is COc1ccc(F)cc1C(O)C1(O)CCC(C)CC1.
What is the InChIKey of 1-[(5-fluoro-2-methoxyphenyl)-hydroxymethyl]-4-methylcyclohexan-1-ol?
The InChIKey is YJZPYIBPDLZOKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FO3/c1-10-5-7-15(18,8-6-10)14(17)12-9-11(16)3-4-13(12)19-2/h3-4,9-10,14,17-18H,5-8H2,1-2H3.
What are the key properties of 1-[(5-fluoro-2-methoxyphenyl)-hydroxymethyl]-4-methylcyclohexan-1-ol?
1-[(5-fluoro-2-methoxyphenyl)-hydroxymethyl]-4-methylcyclohexan-1-ol has a molecular weight of 268.33 g/mol, XLogP of 2.81, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-fluoro-2-methoxyphenyl)-hydroxymethyl]-4-methylcyclohexan-1-ol is sourced from PubChem (CID 103452335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).