(7-fluoro-1-benzofuran-2-yl)-(3-methoxy-4-methylphenyl)methanol

C17H15FO3 — CID 115836972

IUPAC(7-fluoro-1-benzofuran-2-yl)-(3-methoxy-4-methylphenyl)methanol
SMILESCOc1cc(C(O)c2cc3cccc(F)c3o2)ccc1C
InChIInChI=1S/C17H15FO3/c1-10-6-7-11(8-14(10)20-2)16(19)15-9-12-4-3-5-13(18)17(12)21-15/h3-9,16,19H,1-2H3
InChIKeyNUXRGRSUNLJTLB-UHFFFAOYSA-N
MW286.30 g/mol
LogP3.97
Rot. Bonds3

About (7-fluoro-1-benzofuran-2-yl)-(3-methoxy-4-methylphenyl)methanol

(7-fluoro-1-benzofuran-2-yl)-(3-methoxy-4-methylphenyl)methanol (PubChem CID 115836972) has the molecular formula C17H15FO3 and a molecular weight of 286.30 g/mol. Its IUPAC name is (7-fluoro-1-benzofuran-2-yl)-(3-methoxy-4-methylphenyl)methanol.

Molecular Properties

Compound Name(7-fluoro-1-benzofuran-2-yl)-(3-methoxy-4-methylphenyl)methanol
PubChem CID115836972
Molecular FormulaC17H15FO3
Molecular Weight286.30 g/mol
Exact Mass286.10
IUPAC Name(7-fluoro-1-benzofuran-2-yl)-(3-methoxy-4-methylphenyl)methanol
SMILESCOc1cc(C(O)c2cc3cccc(F)c3o2)ccc1C
InChIInChI=1S/C17H15FO3/c1-10-6-7-11(8-14(10)20-2)16(19)15-9-12-4-3-5-13(18)17(12)21-15/h3-9,16,19H,1-2H3
InChIKeyNUXRGRSUNLJTLB-UHFFFAOYSA-N
XLogP3.97
TPSA42.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.30
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(7-fluoro-1-benzofuran-2-yl)-(3-fluoro-4-methylphenyl)methanol
CID 114723604
(7-fluoro-1-benzofuran-2-yl)-(3-methoxy-4-methylphenyl)methanamine
CID 105047479
(7-fluoro-1-benzofuran-2-yl)-(4-iodophenyl)methanol
CID 115836962
(2,3-difluorophenyl)-(3-methoxy-4-methylphenyl)methanol
CID 115800901
4-[(7-fluoro-1-benzofuran-2-yl)-hydroxymethyl]benzonitrile
CID 114724496
(5-chloro-2-methylphenyl)-(7-fluoro-1-benzofuran-2-yl)methanol
CID 115837002
1,3-dihydro-2-benzofuran-5-yl-(7-fluoro-1-benzofuran-2-yl)methanol
CID 115836912
(2-fluoro-3-methoxyphenyl)-(3-methoxy-4-methylphenyl)methanol
CID 115828621
3-[(7-fluoro-1-benzofuran-2-yl)-hydroxymethyl]benzonitrile
CID 114724502
1-benzofuran-2-yl-(7-fluoro-1-benzofuran-2-yl)methanol
CID 114723565
(7-fluoro-1-benzofuran-2-yl)-(2,4,6-trifluorophenyl)methanol
CID 115836932
(7-fluoro-1-benzofuran-2-yl)-(furan-2-yl)methanol
CID 114723330

Frequently Asked Questions

What is the IUPAC name of (7-fluoro-1-benzofuran-2-yl)-(3-methoxy-4-methylphenyl)methanol?
The IUPAC name of (7-fluoro-1-benzofuran-2-yl)-(3-methoxy-4-methylphenyl)methanol (CID 115836972) is (7-fluoro-1-benzofuran-2-yl)-(3-methoxy-4-methylphenyl)methanol.
What is the SMILES notation for (7-fluoro-1-benzofuran-2-yl)-(3-methoxy-4-methylphenyl)methanol?
The canonical SMILES for (7-fluoro-1-benzofuran-2-yl)-(3-methoxy-4-methylphenyl)methanol is COc1cc(C(O)c2cc3cccc(F)c3o2)ccc1C.
What is the InChIKey of (7-fluoro-1-benzofuran-2-yl)-(3-methoxy-4-methylphenyl)methanol?
The InChIKey is NUXRGRSUNLJTLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FO3/c1-10-6-7-11(8-14(10)20-2)16(19)15-9-12-4-3-5-13(18)17(12)21-15/h3-9,16,19H,1-2H3.
What are the key properties of (7-fluoro-1-benzofuran-2-yl)-(3-methoxy-4-methylphenyl)methanol?
(7-fluoro-1-benzofuran-2-yl)-(3-methoxy-4-methylphenyl)methanol has a molecular weight of 286.30 g/mol, XLogP of 3.97, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7-fluoro-1-benzofuran-2-yl)-(3-methoxy-4-methylphenyl)methanol is sourced from PubChem (CID 115836972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).