(3-methoxyphenyl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanol

C17H18O3 — CID 61081834

IUPAC(3-methoxyphenyl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanol
SMILESCOc1cccc(C(O)c2ccc3c(c2)CC(C)O3)c1
InChIInChI=1S/C17H18O3/c1-11-8-14-9-13(6-7-16(14)20-11)17(18)12-4-3-5-15(10-12)19-2/h3-7,9-11,17-18H,8H2,1-2H3
InChIKeyINVBPFPAEKWWNQ-UHFFFAOYSA-N
MW270.33 g/mol
LogP3.10
Rot. Bonds3

About (3-methoxyphenyl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanol

(3-methoxyphenyl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanol (PubChem CID 61081834) has the molecular formula C17H18O3 and a molecular weight of 270.33 g/mol. Its IUPAC name is (3-methoxyphenyl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanol.

Molecular Properties

Compound Name(3-methoxyphenyl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanol
PubChem CID61081834
Molecular FormulaC17H18O3
Molecular Weight270.33 g/mol
Exact Mass270.13
IUPAC Name(3-methoxyphenyl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanol
SMILESCOc1cccc(C(O)c2ccc3c(c2)CC(C)O3)c1
InChIInChI=1S/C17H18O3/c1-11-8-14-9-13(6-7-16(14)20-11)17(18)12-4-3-5-15(10-12)19-2/h3-7,9-11,17-18H,8H2,1-2H3
InChIKeyINVBPFPAEKWWNQ-UHFFFAOYSA-N
XLogP3.10
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-methoxyphenyl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanone
CID 43297098
(2-chlorophenyl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanol
CID 61082038
[4-(dimethylamino)phenyl]-(3-methoxyphenyl)methanol
CID 63893480
(R)-(4-chlorophenyl)-(3-methoxyphenyl)methanol
CID 7146657
(S)-(4-chlorophenyl)-(3-methoxyphenyl)methanol
CID 7146658
(3-methoxy-4-methylphenyl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanamine
CID 43297193
(3,4-dichlorophenyl)-(3-methoxyphenyl)methanol
CID 61083356
(4-ethylsulfanylphenyl)-(3-methoxyphenyl)methanol
CID 106848346
(4-chloro-2,5-difluorophenyl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanol
CID 82771936
2-amino-2-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)ethanol
CID 82605121
2,3-dihydro-1-benzofuran-5-yl-(3,5-dimethoxyphenyl)methanol
CID 61100594
5-[bromo-(4-fluoro-3-methoxyphenyl)methyl]-2-methyl-2,3-dihydro-1-benzofuran
CID 81289246

Frequently Asked Questions

What is the IUPAC name of (3-methoxyphenyl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanol?
The IUPAC name of (3-methoxyphenyl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanol (CID 61081834) is (3-methoxyphenyl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanol.
What is the SMILES notation for (3-methoxyphenyl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanol?
The canonical SMILES for (3-methoxyphenyl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanol is COc1cccc(C(O)c2ccc3c(c2)CC(C)O3)c1.
What is the InChIKey of (3-methoxyphenyl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanol?
The InChIKey is INVBPFPAEKWWNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O3/c1-11-8-14-9-13(6-7-16(14)20-11)17(18)12-4-3-5-15(10-12)19-2/h3-7,9-11,17-18H,8H2,1-2H3.
What are the key properties of (3-methoxyphenyl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanol?
(3-methoxyphenyl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanol has a molecular weight of 270.33 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxyphenyl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanol is sourced from PubChem (CID 61081834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).