1-(2,6-difluorophenyl)-2-(4-methoxyphenyl)propan-2-ol

C16H16F2O2 — CID 114930972

IUPAC1-(2,6-difluorophenyl)-2-(4-methoxyphenyl)propan-2-ol
SMILESCOc1ccc(C(C)(O)Cc2c(F)cccc2F)cc1
InChIInChI=1S/C16H16F2O2/c1-16(19,11-6-8-12(20-2)9-7-11)10-13-14(17)4-3-5-15(13)18/h3-9,19H,10H2,1-2H3
InChIKeyBWPFALVADUELKK-UHFFFAOYSA-N
MW278.30 g/mol
LogP3.42
Rot. Bonds4

About 1-(2,6-difluorophenyl)-2-(4-methoxyphenyl)propan-2-ol

1-(2,6-difluorophenyl)-2-(4-methoxyphenyl)propan-2-ol (PubChem CID 114930972) has the molecular formula C16H16F2O2 and a molecular weight of 278.30 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)-2-(4-methoxyphenyl)propan-2-ol.

Molecular Properties

Compound Name1-(2,6-difluorophenyl)-2-(4-methoxyphenyl)propan-2-ol
PubChem CID114930972
Molecular FormulaC16H16F2O2
Molecular Weight278.30 g/mol
Exact Mass278.11
IUPAC Name1-(2,6-difluorophenyl)-2-(4-methoxyphenyl)propan-2-ol
SMILESCOc1ccc(C(C)(O)Cc2c(F)cccc2F)cc1
InChIInChI=1S/C16H16F2O2/c1-16(19,11-6-8-12(20-2)9-7-11)10-13-14(17)4-3-5-15(13)18/h3-9,19H,10H2,1-2H3
InChIKeyBWPFALVADUELKK-UHFFFAOYSA-N
XLogP3.42
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.30
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,6-difluorophenyl)-2-phenylpropan-2-ol
CID 114930959
1-(2,6-difluorophenyl)-3-(4-methoxyphenyl)-2-methylpropan-2-amine
CID 114931245
1-(2,6-difluorophenyl)-2-(3-methylphenyl)propan-2-ol
CID 114930963
1-(2,6-difluorophenyl)-2-(2-fluorophenyl)propan-2-ol
CID 114930965
4-[1-(2-chloro-6-fluorophenyl)-2-hydroxypropan-2-yl]phenol
CID 83075778
1-(2,6-difluorophenyl)-3-methoxy-2-methylpropan-2-ol
CID 114930994
2-(4-methoxyphenyl)butan-2-ol
CID 10307904
2-(4-bromophenyl)-1-(2-chloro-6-fluorophenyl)propan-2-ol
CID 63406670
1-(2,6-difluorophenyl)-2,3-dimethylbutan-2-ol
CID 114930978
2-(4-methoxyphenyl)-1-(4-methylphenyl)propan-2-ol
CID 60798775
2-(4-methoxyphenyl)-1-thiophen-2-ylpropan-2-ol
CID 65145347
2-(3,5-difluorophenyl)-1-(4-methoxyphenyl)propan-2-ol
CID 63273431

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)-2-(4-methoxyphenyl)propan-2-ol?
The IUPAC name of 1-(2,6-difluorophenyl)-2-(4-methoxyphenyl)propan-2-ol (CID 114930972) is 1-(2,6-difluorophenyl)-2-(4-methoxyphenyl)propan-2-ol.
What is the SMILES notation for 1-(2,6-difluorophenyl)-2-(4-methoxyphenyl)propan-2-ol?
The canonical SMILES for 1-(2,6-difluorophenyl)-2-(4-methoxyphenyl)propan-2-ol is COc1ccc(C(C)(O)Cc2c(F)cccc2F)cc1.
What is the InChIKey of 1-(2,6-difluorophenyl)-2-(4-methoxyphenyl)propan-2-ol?
The InChIKey is BWPFALVADUELKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2O2/c1-16(19,11-6-8-12(20-2)9-7-11)10-13-14(17)4-3-5-15(13)18/h3-9,19H,10H2,1-2H3.
What are the key properties of 1-(2,6-difluorophenyl)-2-(4-methoxyphenyl)propan-2-ol?
1-(2,6-difluorophenyl)-2-(4-methoxyphenyl)propan-2-ol has a molecular weight of 278.30 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluorophenyl)-2-(4-methoxyphenyl)propan-2-ol is sourced from PubChem (CID 114930972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).