1-(2,5-dimethylphenyl)-3-(3-fluoro-4-methoxyphenyl)propan-2-ol

C18H21FO2 — CID 115782389

IUPAC1-(2,5-dimethylphenyl)-3-(3-fluoro-4-methoxyphenyl)propan-2-ol
SMILESCOc1ccc(CC(O)Cc2cc(C)ccc2C)cc1F
InChIInChI=1S/C18H21FO2/c1-12-4-5-13(2)15(8-12)11-16(20)9-14-6-7-18(21-3)17(19)10-14/h4-8,10,16,20H,9,11H2,1-3H3
InChIKeyCWXFELFMFCFNQP-UHFFFAOYSA-N
MW288.36 g/mol
LogP3.60
Rot. Bonds5

About 1-(2,5-dimethylphenyl)-3-(3-fluoro-4-methoxyphenyl)propan-2-ol

1-(2,5-dimethylphenyl)-3-(3-fluoro-4-methoxyphenyl)propan-2-ol (PubChem CID 115782389) has the molecular formula C18H21FO2 and a molecular weight of 288.36 g/mol. Its IUPAC name is 1-(2,5-dimethylphenyl)-3-(3-fluoro-4-methoxyphenyl)propan-2-ol.

Molecular Properties

Compound Name1-(2,5-dimethylphenyl)-3-(3-fluoro-4-methoxyphenyl)propan-2-ol
PubChem CID115782389
Molecular FormulaC18H21FO2
Molecular Weight288.36 g/mol
Exact Mass288.15
IUPAC Name1-(2,5-dimethylphenyl)-3-(3-fluoro-4-methoxyphenyl)propan-2-ol
SMILESCOc1ccc(CC(O)Cc2cc(C)ccc2C)cc1F
InChIInChI=1S/C18H21FO2/c1-12-4-5-13(2)15(8-12)11-16(20)9-14-6-7-18(21-3)17(19)10-14/h4-8,10,16,20H,9,11H2,1-3H3
InChIKeyCWXFELFMFCFNQP-UHFFFAOYSA-N
XLogP3.60
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.36
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-fluoro-4-methoxyphenyl)-4-(4-methylphenyl)butan-2-ol
CID 105084500
1-(4-chlorophenyl)-3-(2-methoxy-5-methylphenyl)propan-2-ol
CID 62161181
1-(2-chloro-4-fluorophenyl)-3-(3-fluoro-4-methoxyphenyl)propan-2-ol
CID 63035603
1-(3-fluoro-4-methoxyphenyl)-3-(3-fluorophenyl)propan-2-ol
CID 62608783
1-(dimethylamino)-3-(3-fluoro-4-methoxyphenyl)propan-2-ol
CID 79086997
1-(3-fluoro-4-methoxyphenyl)pent-4-en-2-ol
CID 116659969
(2R)-1-(2,5-dimethylphenyl)butan-2-ol
CID 94208295
1-(3-fluoro-4-methoxyphenyl)-3-(2-methylpropylsulfanyl)propan-2-ol
CID 65135833
1-(3-fluoro-4-methoxyphenyl)-2-(2-methoxy-5-methylphenyl)ethanol
CID 65101453
2-[(3-fluoro-4-methoxyphenyl)methyl]-3-(2-methylphenyl)propan-1-ol
CID 66059093
1-(2-chloro-6-fluorophenyl)-3-(3-fluoro-4-methoxyphenyl)propan-2-ol
CID 63022137
1-(2-methoxy-5-methylphenyl)-4-methylpentan-2-ol
CID 62161527

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylphenyl)-3-(3-fluoro-4-methoxyphenyl)propan-2-ol?
The IUPAC name of 1-(2,5-dimethylphenyl)-3-(3-fluoro-4-methoxyphenyl)propan-2-ol (CID 115782389) is 1-(2,5-dimethylphenyl)-3-(3-fluoro-4-methoxyphenyl)propan-2-ol.
What is the SMILES notation for 1-(2,5-dimethylphenyl)-3-(3-fluoro-4-methoxyphenyl)propan-2-ol?
The canonical SMILES for 1-(2,5-dimethylphenyl)-3-(3-fluoro-4-methoxyphenyl)propan-2-ol is COc1ccc(CC(O)Cc2cc(C)ccc2C)cc1F.
What is the InChIKey of 1-(2,5-dimethylphenyl)-3-(3-fluoro-4-methoxyphenyl)propan-2-ol?
The InChIKey is CWXFELFMFCFNQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FO2/c1-12-4-5-13(2)15(8-12)11-16(20)9-14-6-7-18(21-3)17(19)10-14/h4-8,10,16,20H,9,11H2,1-3H3.
What are the key properties of 1-(2,5-dimethylphenyl)-3-(3-fluoro-4-methoxyphenyl)propan-2-ol?
1-(2,5-dimethylphenyl)-3-(3-fluoro-4-methoxyphenyl)propan-2-ol has a molecular weight of 288.36 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylphenyl)-3-(3-fluoro-4-methoxyphenyl)propan-2-ol is sourced from PubChem (CID 115782389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).