1-(2-fluorophenyl)-2-(4-methoxy-2,5-dimethylphenyl)propan-2-ol

C18H21FO2 — CID 114832876

IUPAC1-(2-fluorophenyl)-2-(4-methoxy-2,5-dimethylphenyl)propan-2-ol
SMILESCOc1cc(C)c(C(C)(O)Cc2ccccc2F)cc1C
InChIInChI=1S/C18H21FO2/c1-12-10-17(21-4)13(2)9-15(12)18(3,20)11-14-7-5-6-8-16(14)19/h5-10,20H,11H2,1-4H3
InChIKeyFGYQOCGZXVXREA-UHFFFAOYSA-N
MW288.36 g/mol
LogP3.90
Rot. Bonds4

About 1-(2-fluorophenyl)-2-(4-methoxy-2,5-dimethylphenyl)propan-2-ol

1-(2-fluorophenyl)-2-(4-methoxy-2,5-dimethylphenyl)propan-2-ol (PubChem CID 114832876) has the molecular formula C18H21FO2 and a molecular weight of 288.36 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-2-(4-methoxy-2,5-dimethylphenyl)propan-2-ol.

Molecular Properties

Compound Name1-(2-fluorophenyl)-2-(4-methoxy-2,5-dimethylphenyl)propan-2-ol
PubChem CID114832876
Molecular FormulaC18H21FO2
Molecular Weight288.36 g/mol
Exact Mass288.15
IUPAC Name1-(2-fluorophenyl)-2-(4-methoxy-2,5-dimethylphenyl)propan-2-ol
SMILESCOc1cc(C)c(C(C)(O)Cc2ccccc2F)cc1C
InChIInChI=1S/C18H21FO2/c1-12-10-17(21-4)13(2)9-15(12)18(3,20)11-14-7-5-6-8-16(14)19/h5-10,20H,11H2,1-4H3
InChIKeyFGYQOCGZXVXREA-UHFFFAOYSA-N
XLogP3.90
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.36
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-fluoro-2-methoxyphenyl)-1-(2-fluorophenyl)propan-2-ol
CID 114832664
1-(2,3-difluorophenyl)-2-(2-methoxyphenyl)propan-2-ol
CID 65144915
2-(2,4-dichloro-5-fluorophenyl)-1-(2-fluorophenyl)propan-2-ol
CID 63406675
1-(3-fluoro-4-methoxyphenyl)-2-(2-methylphenyl)propan-2-ol
CID 65144733
1-(2,4-difluorophenyl)-2-(2-methylphenyl)propan-2-ol
CID 62198136
2-(2,5-dimethylphenyl)-1-(2-methoxy-5-methylphenyl)propan-2-ol
CID 62159640
1-(2-fluorophenyl)-2-methyl-3-(2-methylphenyl)propan-2-ol
CID 114832697
2-(3,4-difluorophenyl)-1-(2-fluorophenyl)propan-2-ol
CID 114832741
N-[(2-fluorophenyl)methyl]-4,5-dimethoxy-2-methylaniline
CID 43230210
1-(5-chloro-2-fluorophenyl)-2-(2-fluorophenyl)propan-2-ol
CID 103047475
2-fluoro-N-[(4-methoxy-2,5-dimethylphenyl)methyl]aniline
CID 783773
1-tert-butyl-4-methoxy-2,5-dimethylbenzene
CID 23345325

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-2-(4-methoxy-2,5-dimethylphenyl)propan-2-ol?
The IUPAC name of 1-(2-fluorophenyl)-2-(4-methoxy-2,5-dimethylphenyl)propan-2-ol (CID 114832876) is 1-(2-fluorophenyl)-2-(4-methoxy-2,5-dimethylphenyl)propan-2-ol.
What is the SMILES notation for 1-(2-fluorophenyl)-2-(4-methoxy-2,5-dimethylphenyl)propan-2-ol?
The canonical SMILES for 1-(2-fluorophenyl)-2-(4-methoxy-2,5-dimethylphenyl)propan-2-ol is COc1cc(C)c(C(C)(O)Cc2ccccc2F)cc1C.
What is the InChIKey of 1-(2-fluorophenyl)-2-(4-methoxy-2,5-dimethylphenyl)propan-2-ol?
The InChIKey is FGYQOCGZXVXREA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FO2/c1-12-10-17(21-4)13(2)9-15(12)18(3,20)11-14-7-5-6-8-16(14)19/h5-10,20H,11H2,1-4H3.
What are the key properties of 1-(2-fluorophenyl)-2-(4-methoxy-2,5-dimethylphenyl)propan-2-ol?
1-(2-fluorophenyl)-2-(4-methoxy-2,5-dimethylphenyl)propan-2-ol has a molecular weight of 288.36 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-2-(4-methoxy-2,5-dimethylphenyl)propan-2-ol is sourced from PubChem (CID 114832876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).