(2-fluoro-4,6-dimethylphenyl)-(3-propan-2-yloxyphenyl)methanol

C18H21FO2 — CID 106880297

IUPAC(2-fluoro-4,6-dimethylphenyl)-(3-propan-2-yloxyphenyl)methanol
SMILESCc1cc(C)c(C(O)c2cccc(OC(C)C)c2)c(F)c1
InChIInChI=1S/C18H21FO2/c1-11(2)21-15-7-5-6-14(10-15)18(20)17-13(4)8-12(3)9-16(17)19/h5-11,18,20H,1-4H3
InChIKeyIKWHVTPYGKIYIB-UHFFFAOYSA-N
MW288.36 g/mol
LogP4.31
Rot. Bonds4

About (2-fluoro-4,6-dimethylphenyl)-(3-propan-2-yloxyphenyl)methanol

(2-fluoro-4,6-dimethylphenyl)-(3-propan-2-yloxyphenyl)methanol (PubChem CID 106880297) has the molecular formula C18H21FO2 and a molecular weight of 288.36 g/mol. Its IUPAC name is (2-fluoro-4,6-dimethylphenyl)-(3-propan-2-yloxyphenyl)methanol.

Molecular Properties

Compound Name(2-fluoro-4,6-dimethylphenyl)-(3-propan-2-yloxyphenyl)methanol
PubChem CID106880297
Molecular FormulaC18H21FO2
Molecular Weight288.36 g/mol
Exact Mass288.15
IUPAC Name(2-fluoro-4,6-dimethylphenyl)-(3-propan-2-yloxyphenyl)methanol
SMILESCc1cc(C)c(C(O)c2cccc(OC(C)C)c2)c(F)c1
InChIInChI=1S/C18H21FO2/c1-11(2)21-15-7-5-6-14(10-15)18(20)17-13(4)8-12(3)9-16(17)19/h5-11,18,20H,1-4H3
InChIKeyIKWHVTPYGKIYIB-UHFFFAOYSA-N
XLogP4.31
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 ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2-fluoro-4,6-dimethylphenyl)-(3-propan-2-yloxyphenyl)methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2,5-difluorophenyl)-(3-propan-2-yloxyphenyl)methanol
CID 62918976
(1S)-1-(3-propan-2-yloxyphenyl)ethanol
CID 75358098
(2-bromo-3-methylphenyl)-(3-propan-2-yloxyphenyl)methanol
CID 107985793
2-[chloro-(3-propan-2-yloxyphenyl)methyl]-5-fluoro-1,3-dimethylbenzene
CID 106879678
(2,5-dibromo-4-methylphenyl)-(3-propan-2-yloxyphenyl)methanol
CID 81473774
(3-chlorophenyl)-(3-propan-2-yloxyphenyl)methanol
CID 63895368
(5-methylfuran-2-yl)-(3-propan-2-yloxyphenyl)methanol
CID 79020840
(5-fluoro-3-pyridinyl)-(3-propan-2-yloxyphenyl)methanol
CID 63895183
(4-aminophenyl)-(3-propan-2-yloxyphenyl)methanol
CID 106695525
(4-bromo-5-chloro-2-fluorophenyl)-(3-propan-2-yloxyphenyl)methanol
CID 105399544
(2,6-difluorophenyl)-(3-methoxyphenyl)methanol
CID 63893352
(4-bromo-3-chlorophenyl)-(2-fluoro-4,6-dimethylphenyl)methanol
CID 106884138

Frequently Asked Questions

What is the IUPAC name of (2-fluoro-4,6-dimethylphenyl)-(3-propan-2-yloxyphenyl)methanol?
The IUPAC name of (2-fluoro-4,6-dimethylphenyl)-(3-propan-2-yloxyphenyl)methanol (CID 106880297) is (2-fluoro-4,6-dimethylphenyl)-(3-propan-2-yloxyphenyl)methanol.
What is the SMILES notation for (2-fluoro-4,6-dimethylphenyl)-(3-propan-2-yloxyphenyl)methanol?
The canonical SMILES for (2-fluoro-4,6-dimethylphenyl)-(3-propan-2-yloxyphenyl)methanol is Cc1cc(C)c(C(O)c2cccc(OC(C)C)c2)c(F)c1.
What is the InChIKey of (2-fluoro-4,6-dimethylphenyl)-(3-propan-2-yloxyphenyl)methanol?
The InChIKey is IKWHVTPYGKIYIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FO2/c1-11(2)21-15-7-5-6-14(10-15)18(20)17-13(4)8-12(3)9-16(17)19/h5-11,18,20H,1-4H3.
What are the key properties of (2-fluoro-4,6-dimethylphenyl)-(3-propan-2-yloxyphenyl)methanol?
(2-fluoro-4,6-dimethylphenyl)-(3-propan-2-yloxyphenyl)methanol has a molecular weight of 288.36 g/mol, XLogP of 4.31, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluoro-4,6-dimethylphenyl)-(3-propan-2-yloxyphenyl)methanol is sourced from PubChem (CID 106880297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).