(7-chloro-1,3-benzodioxol-5-yl)-(5-fluoro-2-methoxyphenyl)methanol

C15H12ClFO4 — CID 82771409

IUPAC(7-chloro-1,3-benzodioxol-5-yl)-(5-fluoro-2-methoxyphenyl)methanol
SMILESCOc1ccc(F)cc1C(O)c1cc(Cl)c2c(c1)OCO2
InChIInChI=1S/C15H12ClFO4/c1-19-12-3-2-9(17)6-10(12)14(18)8-4-11(16)15-13(5-8)20-7-21-15/h2-6,14,18H,7H2,1H3
InChIKeyUHBUKQLSSVTNCF-UHFFFAOYSA-N
MW310.71 g/mol
LogP3.30
Rot. Bonds3

About (7-chloro-1,3-benzodioxol-5-yl)-(5-fluoro-2-methoxyphenyl)methanol

(7-chloro-1,3-benzodioxol-5-yl)-(5-fluoro-2-methoxyphenyl)methanol (PubChem CID 82771409) has the molecular formula C15H12ClFO4 and a molecular weight of 310.71 g/mol. Its IUPAC name is (7-chloro-1,3-benzodioxol-5-yl)-(5-fluoro-2-methoxyphenyl)methanol.

Molecular Properties

Compound Name(7-chloro-1,3-benzodioxol-5-yl)-(5-fluoro-2-methoxyphenyl)methanol
PubChem CID82771409
Molecular FormulaC15H12ClFO4
Molecular Weight310.71 g/mol
Exact Mass310.04
IUPAC Name(7-chloro-1,3-benzodioxol-5-yl)-(5-fluoro-2-methoxyphenyl)methanol
SMILESCOc1ccc(F)cc1C(O)c1cc(Cl)c2c(c1)OCO2
InChIInChI=1S/C15H12ClFO4/c1-19-12-3-2-9(17)6-10(12)14(18)8-4-11(16)15-13(5-8)20-7-21-15/h2-6,14,18H,7H2,1H3
InChIKeyUHBUKQLSSVTNCF-UHFFFAOYSA-N
XLogP3.30
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.71
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3-bromo-4-chlorophenyl)-(5-fluoro-2-methoxyphenyl)methanol
CID 82768889
(7-chloro-1,3-benzodioxol-5-yl)-(2,3-dihydro-1-benzofuran-7-yl)methanol
CID 114743283
(2-chloro-4-fluorophenyl)-(3-chloro-4-methoxyphenyl)methanol
CID 61099671
1,3-benzodioxol-5-yl-(2,5-dimethoxyphenyl)methanol
CID 61099714
(5-chloro-2-fluorophenyl)-(5-fluoro-2-methoxyphenyl)methanol
CID 61087442
(3-fluoro-4-methylphenyl)-(7-methoxy-1,3-benzodioxol-5-yl)methanol
CID 107128195
4-chloro-6-propan-2-yl-1,3-benzodioxole
CID 58332059
(3-chloro-4-methoxyphenyl)-(4-fluorophenyl)methanol
CID 61100698
(3-chloro-4,5-dimethoxyphenyl)-(2,4-difluorophenyl)methanol
CID 62800710
(2-chloro-4-fluorophenyl)-(2-methoxy-5-methylphenyl)methanol
CID 61080374
(2-chloro-4-fluorophenyl)-(3-fluoro-4-methoxyphenyl)methanol
CID 61081471
1,3-benzodioxol-5-yl-(5-fluoro-2-methylphenyl)methanol
CID 63895819

Frequently Asked Questions

What is the IUPAC name of (7-chloro-1,3-benzodioxol-5-yl)-(5-fluoro-2-methoxyphenyl)methanol?
The IUPAC name of (7-chloro-1,3-benzodioxol-5-yl)-(5-fluoro-2-methoxyphenyl)methanol (CID 82771409) is (7-chloro-1,3-benzodioxol-5-yl)-(5-fluoro-2-methoxyphenyl)methanol.
What is the SMILES notation for (7-chloro-1,3-benzodioxol-5-yl)-(5-fluoro-2-methoxyphenyl)methanol?
The canonical SMILES for (7-chloro-1,3-benzodioxol-5-yl)-(5-fluoro-2-methoxyphenyl)methanol is COc1ccc(F)cc1C(O)c1cc(Cl)c2c(c1)OCO2.
What is the InChIKey of (7-chloro-1,3-benzodioxol-5-yl)-(5-fluoro-2-methoxyphenyl)methanol?
The InChIKey is UHBUKQLSSVTNCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClFO4/c1-19-12-3-2-9(17)6-10(12)14(18)8-4-11(16)15-13(5-8)20-7-21-15/h2-6,14,18H,7H2,1H3.
What are the key properties of (7-chloro-1,3-benzodioxol-5-yl)-(5-fluoro-2-methoxyphenyl)methanol?
(7-chloro-1,3-benzodioxol-5-yl)-(5-fluoro-2-methoxyphenyl)methanol has a molecular weight of 310.71 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7-chloro-1,3-benzodioxol-5-yl)-(5-fluoro-2-methoxyphenyl)methanol is sourced from PubChem (CID 82771409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).