1-(3-fluoro-4-methoxyphenyl)-4-(4-methylphenyl)butan-2-ol

C18H21FO2 — CID 105084500

IUPAC1-(3-fluoro-4-methoxyphenyl)-4-(4-methylphenyl)butan-2-ol
SMILESCOc1ccc(CC(O)CCc2ccc(C)cc2)cc1F
InChIInChI=1S/C18H21FO2/c1-13-3-5-14(6-4-13)7-9-16(20)11-15-8-10-18(21-2)17(19)12-15/h3-6,8,10,12,16,20H,7,9,11H2,1-2H3
InChIKeyNVDCCGWQSDCXFF-UHFFFAOYSA-N
MW288.36 g/mol
LogP3.68
Rot. Bonds6

About 1-(3-fluoro-4-methoxyphenyl)-4-(4-methylphenyl)butan-2-ol

1-(3-fluoro-4-methoxyphenyl)-4-(4-methylphenyl)butan-2-ol (PubChem CID 105084500) has the molecular formula C18H21FO2 and a molecular weight of 288.36 g/mol. Its IUPAC name is 1-(3-fluoro-4-methoxyphenyl)-4-(4-methylphenyl)butan-2-ol.

Molecular Properties

Compound Name1-(3-fluoro-4-methoxyphenyl)-4-(4-methylphenyl)butan-2-ol
PubChem CID105084500
Molecular FormulaC18H21FO2
Molecular Weight288.36 g/mol
Exact Mass288.15
IUPAC Name1-(3-fluoro-4-methoxyphenyl)-4-(4-methylphenyl)butan-2-ol
SMILESCOc1ccc(CC(O)CCc2ccc(C)cc2)cc1F
InChIInChI=1S/C18H21FO2/c1-13-3-5-14(6-4-13)7-9-16(20)11-15-8-10-18(21-2)17(19)12-15/h3-6,8,10,12,16,20H,7,9,11H2,1-2H3
InChIKeyNVDCCGWQSDCXFF-UHFFFAOYSA-N
XLogP3.68
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.36
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-fluoro-4-methoxyphenyl)-4-(4-methylphenyl)butan-2-amine
CID 105122506
1-(2,5-dimethylphenyl)-3-(3-fluoro-4-methoxyphenyl)propan-2-ol
CID 115782389
1,4-bis(4-methylphenyl)butan-2-ol
CID 63016226
1-(dimethylamino)-3-(3-fluoro-4-methoxyphenyl)propan-2-ol
CID 79086997
1-(3-fluoro-4-methoxyphenyl)-3-(3-fluorophenyl)propan-2-ol
CID 62608783
1-(3-fluoro-4-methoxyphenyl)pent-4-en-2-ol
CID 116659969
1-(3-fluoro-4-methoxyphenyl)-3-(2-methylpropylsulfanyl)propan-2-ol
CID 65135833
[2-(3-fluoro-4-methoxyphenyl)-1-(4-methylphenyl)ethyl]hydrazine
CID 105194332
1-(2,5-dimethylfuran-3-yl)-2-(3-fluoro-4-methoxyphenyl)ethanol
CID 115782163
2-(3-fluoro-4-methoxyphenyl)-1-(4-methylthiadiazol-5-yl)ethanol
CID 105084474
1-(3-fluoro-4-methoxyphenyl)-4-pyridin-4-ylbutan-2-amine
CID 105122524
2-(3-fluoro-4-methoxyphenyl)-1-(4-methoxyphenyl)ethanol
CID 62622685

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-methoxyphenyl)-4-(4-methylphenyl)butan-2-ol?
The IUPAC name of 1-(3-fluoro-4-methoxyphenyl)-4-(4-methylphenyl)butan-2-ol (CID 105084500) is 1-(3-fluoro-4-methoxyphenyl)-4-(4-methylphenyl)butan-2-ol.
What is the SMILES notation for 1-(3-fluoro-4-methoxyphenyl)-4-(4-methylphenyl)butan-2-ol?
The canonical SMILES for 1-(3-fluoro-4-methoxyphenyl)-4-(4-methylphenyl)butan-2-ol is COc1ccc(CC(O)CCc2ccc(C)cc2)cc1F.
What is the InChIKey of 1-(3-fluoro-4-methoxyphenyl)-4-(4-methylphenyl)butan-2-ol?
The InChIKey is NVDCCGWQSDCXFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FO2/c1-13-3-5-14(6-4-13)7-9-16(20)11-15-8-10-18(21-2)17(19)12-15/h3-6,8,10,12,16,20H,7,9,11H2,1-2H3.
What are the key properties of 1-(3-fluoro-4-methoxyphenyl)-4-(4-methylphenyl)butan-2-ol?
1-(3-fluoro-4-methoxyphenyl)-4-(4-methylphenyl)butan-2-ol has a molecular weight of 288.36 g/mol, XLogP of 3.68, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4-methoxyphenyl)-4-(4-methylphenyl)butan-2-ol is sourced from PubChem (CID 105084500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).