(3-fluoro-4-methylphenyl)-(7-methoxy-1,3-benzodioxol-5-yl)methanol

C16H15FO4 — CID 107128195

IUPAC(3-fluoro-4-methylphenyl)-(7-methoxy-1,3-benzodioxol-5-yl)methanol
SMILESCOc1cc(C(O)c2ccc(C)c(F)c2)cc2c1OCO2
InChIInChI=1S/C16H15FO4/c1-9-3-4-10(5-12(9)17)15(18)11-6-13(19-2)16-14(7-11)20-8-21-16/h3-7,15,18H,8H2,1-2H3
InChIKeyYLTCIBFGRAPAJB-UHFFFAOYSA-N
MW290.29 g/mol
LogP2.95
Rot. Bonds3

About (3-fluoro-4-methylphenyl)-(7-methoxy-1,3-benzodioxol-5-yl)methanol

(3-fluoro-4-methylphenyl)-(7-methoxy-1,3-benzodioxol-5-yl)methanol (PubChem CID 107128195) has the molecular formula C16H15FO4 and a molecular weight of 290.29 g/mol. Its IUPAC name is (3-fluoro-4-methylphenyl)-(7-methoxy-1,3-benzodioxol-5-yl)methanol.

Molecular Properties

Compound Name(3-fluoro-4-methylphenyl)-(7-methoxy-1,3-benzodioxol-5-yl)methanol
PubChem CID107128195
Molecular FormulaC16H15FO4
Molecular Weight290.29 g/mol
Exact Mass290.10
IUPAC Name(3-fluoro-4-methylphenyl)-(7-methoxy-1,3-benzodioxol-5-yl)methanol
SMILESCOc1cc(C(O)c2ccc(C)c(F)c2)cc2c1OCO2
InChIInChI=1S/C16H15FO4/c1-9-3-4-10(5-12(9)17)15(18)11-6-13(19-2)16-14(7-11)20-8-21-16/h3-7,15,18H,8H2,1-2H3
InChIKeyYLTCIBFGRAPAJB-UHFFFAOYSA-N
XLogP2.95
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.29
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3-fluoro-4-methylphenyl)-(4-methoxyphenyl)methanol
CID 60798694
(1R,2S)-1-(7-methoxy-1,3-benzodioxol-5-yl)propane-1,2-diol
CID 71408272
(2,6-dimethoxyphenyl)-(3-fluoro-4-methylphenyl)methanol
CID 116809700
(4-bromo-1,3-thiazol-2-yl)-(7-methoxy-1,3-benzodioxol-5-yl)methanol
CID 114684484
(1S)-2-fluoro-1-(7-methoxy-1,3-benzodioxol-5-yl)ethanamine
CID 131312391
1-(7-methoxy-1,3-benzodioxol-5-yl)hexan-1-ol
CID 113480948
(1R,2S)-2-amino-1-cyclopropyl-2-(7-methoxy-1,3-benzodioxol-5-yl)ethanol
CID 171271899
(7-bromo-1,3-benzodioxol-5-yl)-(2,6-difluoro-3-methylphenyl)methanol
CID 82802781
(7-chloro-1,3-benzodioxol-5-yl)-(5-fluoro-2-methoxyphenyl)methanol
CID 82771409
(3-fluoro-5-methylphenyl)-(3-methoxy-4-methylphenyl)methanol
CID 115823139
(1S)-1-(7-methoxy-1,3-benzodioxol-5-yl)propane-1,3-diamine;hydrochloride
CID 171236126
methyl 2-[N-[[2-[hydroxy-(7-methoxy-1,3-benzodioxol-5-yl)methyl]phenyl]methyl]-2-methylanilino]acetate
CID 20667407

Frequently Asked Questions

What is the IUPAC name of (3-fluoro-4-methylphenyl)-(7-methoxy-1,3-benzodioxol-5-yl)methanol?
The IUPAC name of (3-fluoro-4-methylphenyl)-(7-methoxy-1,3-benzodioxol-5-yl)methanol (CID 107128195) is (3-fluoro-4-methylphenyl)-(7-methoxy-1,3-benzodioxol-5-yl)methanol.
What is the SMILES notation for (3-fluoro-4-methylphenyl)-(7-methoxy-1,3-benzodioxol-5-yl)methanol?
The canonical SMILES for (3-fluoro-4-methylphenyl)-(7-methoxy-1,3-benzodioxol-5-yl)methanol is COc1cc(C(O)c2ccc(C)c(F)c2)cc2c1OCO2.
What is the InChIKey of (3-fluoro-4-methylphenyl)-(7-methoxy-1,3-benzodioxol-5-yl)methanol?
The InChIKey is YLTCIBFGRAPAJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FO4/c1-9-3-4-10(5-12(9)17)15(18)11-6-13(19-2)16-14(7-11)20-8-21-16/h3-7,15,18H,8H2,1-2H3.
What are the key properties of (3-fluoro-4-methylphenyl)-(7-methoxy-1,3-benzodioxol-5-yl)methanol?
(3-fluoro-4-methylphenyl)-(7-methoxy-1,3-benzodioxol-5-yl)methanol has a molecular weight of 290.29 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoro-4-methylphenyl)-(7-methoxy-1,3-benzodioxol-5-yl)methanol is sourced from PubChem (CID 107128195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).