2,3-dihydro-1-benzofuran-7-yl-(4-propan-2-yloxyphenyl)methanol

C18H20O3 — CID 114743236

IUPAC2,3-dihydro-1-benzofuran-7-yl-(4-propan-2-yloxyphenyl)methanol
SMILESCC(C)Oc1ccc(C(O)c2cccc3c2OCC3)cc1
InChIInChI=1S/C18H20O3/c1-12(2)21-15-8-6-13(7-9-15)17(19)16-5-3-4-14-10-11-20-18(14)16/h3-9,12,17,19H,10-11H2,1-2H3
InChIKeyJFTXXAZQONYGQA-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.49
Rot. Bonds4

About 2,3-dihydro-1-benzofuran-7-yl-(4-propan-2-yloxyphenyl)methanol

2,3-dihydro-1-benzofuran-7-yl-(4-propan-2-yloxyphenyl)methanol (PubChem CID 114743236) has the molecular formula C18H20O3 and a molecular weight of 284.36 g/mol. Its IUPAC name is 2,3-dihydro-1-benzofuran-7-yl-(4-propan-2-yloxyphenyl)methanol.

Molecular Properties

Compound Name2,3-dihydro-1-benzofuran-7-yl-(4-propan-2-yloxyphenyl)methanol
PubChem CID114743236
Molecular FormulaC18H20O3
Molecular Weight284.36 g/mol
Exact Mass284.14
IUPAC Name2,3-dihydro-1-benzofuran-7-yl-(4-propan-2-yloxyphenyl)methanol
SMILESCC(C)Oc1ccc(C(O)c2cccc3c2OCC3)cc1
InChIInChI=1S/C18H20O3/c1-12(2)21-15-8-6-13(7-9-15)17(19)16-5-3-4-14-10-11-20-18(14)16/h3-9,12,17,19H,10-11H2,1-2H3
InChIKeyJFTXXAZQONYGQA-UHFFFAOYSA-N
XLogP3.49
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,3-dihydro-1-benzofuran-7-yl)ethanol
CID 68614116
2,3-dihydro-1-benzofuran-7-yl(2,3-dihydro-1H-inden-5-yl)methanol
CID 115838905
[2-(difluoromethoxy)phenyl]-(2,3-dihydro-1-benzofuran-7-yl)methanol
CID 114743255
2,3-dihydro-1-benzofuran-7-yl(thiophen-3-yl)methanol
CID 114743275
2,3-dihydro-1-benzofuran-7-yl-(2-fluoro-4-methoxyphenyl)methanol
CID 114744709
3,4-dihydro-2H-chromen-8-yl-[4-(methoxymethyl)phenyl]methanol
CID 114743509
(3-chloro-5-methylphenyl)-(2,3-dihydro-1-benzofuran-7-yl)methanol
CID 115838948
2,3-dihydro-1-benzofuran-7-yl-(2-iodophenyl)methanol
CID 115838946
3,4-dihydro-2H-chromen-8-yl-(3-methoxy-4-methylphenyl)methanol
CID 115837852
(2-chlorophenyl)-(2,3-dihydro-1-benzofuran-7-yl)methanol
CID 114743289
2,3-dihydro-1-benzofuran-7-yl(naphthalen-1-yl)methanol
CID 114743291
2,3-dihydro-1-benzofuran-7-yl-(5-ethylfuran-2-yl)methanol
CID 114743365

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1-benzofuran-7-yl-(4-propan-2-yloxyphenyl)methanol?
The IUPAC name of 2,3-dihydro-1-benzofuran-7-yl-(4-propan-2-yloxyphenyl)methanol (CID 114743236) is 2,3-dihydro-1-benzofuran-7-yl-(4-propan-2-yloxyphenyl)methanol.
What is the SMILES notation for 2,3-dihydro-1-benzofuran-7-yl-(4-propan-2-yloxyphenyl)methanol?
The canonical SMILES for 2,3-dihydro-1-benzofuran-7-yl-(4-propan-2-yloxyphenyl)methanol is CC(C)Oc1ccc(C(O)c2cccc3c2OCC3)cc1.
What is the InChIKey of 2,3-dihydro-1-benzofuran-7-yl-(4-propan-2-yloxyphenyl)methanol?
The InChIKey is JFTXXAZQONYGQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O3/c1-12(2)21-15-8-6-13(7-9-15)17(19)16-5-3-4-14-10-11-20-18(14)16/h3-9,12,17,19H,10-11H2,1-2H3.
What are the key properties of 2,3-dihydro-1-benzofuran-7-yl-(4-propan-2-yloxyphenyl)methanol?
2,3-dihydro-1-benzofuran-7-yl-(4-propan-2-yloxyphenyl)methanol has a molecular weight of 284.36 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1-benzofuran-7-yl-(4-propan-2-yloxyphenyl)methanol is sourced from PubChem (CID 114743236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).