1,3-dihydro-2-benzofuran-5-ylmethanol

C9H10O2 — CID 19809558

IUPAC1,3-dihydro-2-benzofuran-5-ylmethanol
SMILESOCc1ccc2c(c1)COC2
InChIInChI=1S/C9H10O2/c10-4-7-1-2-8-5-11-6-9(8)3-7/h1-3,10H,4-6H2
InChIKeyVPKXUXMJVPZFBB-UHFFFAOYSA-N
MW150.18 g/mol
LogP1.21
Rot. Bonds1

About 1,3-dihydro-2-benzofuran-5-ylmethanol

1,3-dihydro-2-benzofuran-5-ylmethanol (PubChem CID 19809558) has the molecular formula C9H10O2 and a molecular weight of 150.18 g/mol. Its IUPAC name is 1,3-dihydro-2-benzofuran-5-ylmethanol.

Molecular Properties

Compound Name1,3-dihydro-2-benzofuran-5-ylmethanol
PubChem CID19809558
Molecular FormulaC9H10O2
Molecular Weight150.18 g/mol
Exact Mass150.07
IUPAC Name1,3-dihydro-2-benzofuran-5-ylmethanol
SMILESOCc1ccc2c(c1)COC2
InChIInChI=1S/C9H10O2/c10-4-7-1-2-8-5-11-6-9(8)3-7/h1-3,10H,4-6H2
InChIKeyVPKXUXMJVPZFBB-UHFFFAOYSA-N
XLogP1.21
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.18
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,4-Dimethylbenzyl alcohol
CID 23407
2,4-Dimethylbenzyl alcohol
CID 27809
1,3-Dihydroisobenzofuran
CID 10327
2,4,6-Trimethylbenzyl alcohol
CID 20139
(2,3-dihydro-1H-inden-5-yl)methanol
CID 330183
2,4,5-Trimethylbenzyl alcohol
CID 583494
(2,4,6-Trimethyl-1,3-phenylene)dimethanol
CID 595604
5-(Bromomethyl)-1,3-dihydro-2-benzofuran
CID 58200106
(E)-3-[3-(2-hydroxyethyl)-6-(hydroxymethyl)-2,4-dimethylphenyl]-2-methylprop-2-en-1-ol
CID 46867877
(Z)-3-[3-(2-hydroxyethyl)-6-(hydroxymethyl)-2,4-dimethylphenyl]-2-methylprop-2-en-1-ol
CID 90475869
2,5-Dimethylbenzyl alcohol
CID 94560
2-(1,3-Dihydro-2-benzofuran-5-yl)acetic acid
CID 19098421

Frequently Asked Questions

What is the IUPAC name of 1,3-dihydro-2-benzofuran-5-ylmethanol?
The IUPAC name of 1,3-dihydro-2-benzofuran-5-ylmethanol (CID 19809558) is 1,3-dihydro-2-benzofuran-5-ylmethanol.
What is the SMILES notation for 1,3-dihydro-2-benzofuran-5-ylmethanol?
The canonical SMILES for 1,3-dihydro-2-benzofuran-5-ylmethanol is OCc1ccc2c(c1)COC2.
What is the InChIKey of 1,3-dihydro-2-benzofuran-5-ylmethanol?
The InChIKey is VPKXUXMJVPZFBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O2/c10-4-7-1-2-8-5-11-6-9(8)3-7/h1-3,10H,4-6H2.
What are the key properties of 1,3-dihydro-2-benzofuran-5-ylmethanol?
1,3-dihydro-2-benzofuran-5-ylmethanol has a molecular weight of 150.18 g/mol, XLogP of 1.21, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dihydro-2-benzofuran-5-ylmethanol is sourced from PubChem (CID 19809558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).