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

C14H18O2 — CID 107002520

IUPAC1,3-dihydro-2-benzofuran-5-yl-(2,2-dimethylcyclopropyl)methanol
SMILESCC1(C)CC1C(O)c1ccc2c(c1)COC2
InChIInChI=1S/C14H18O2/c1-14(2)6-12(14)13(15)9-3-4-10-7-16-8-11(10)5-9/h3-5,12-13,15H,6-8H2,1-2H3
InChIKeyQZIKLVLTDHVMHQ-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.80
Rot. Bonds2

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

1,3-dihydro-2-benzofuran-5-yl-(2,2-dimethylcyclopropyl)methanol (PubChem CID 107002520) has the molecular formula C14H18O2 and a molecular weight of 218.30 g/mol. Its IUPAC name is 1,3-dihydro-2-benzofuran-5-yl-(2,2-dimethylcyclopropyl)methanol.

Molecular Properties

Compound Name1,3-dihydro-2-benzofuran-5-yl-(2,2-dimethylcyclopropyl)methanol
PubChem CID107002520
Molecular FormulaC14H18O2
Molecular Weight218.30 g/mol
Exact Mass218.13
IUPAC Name1,3-dihydro-2-benzofuran-5-yl-(2,2-dimethylcyclopropyl)methanol
SMILESCC1(C)CC1C(O)c1ccc2c(c1)COC2
InChIInChI=1S/C14H18O2/c1-14(2)6-12(14)13(15)9-3-4-10-7-16-8-11(10)5-9/h3-5,12-13,15H,6-8H2,1-2H3
InChIKeyQZIKLVLTDHVMHQ-UHFFFAOYSA-N
XLogP2.80
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1,3-dihydro-2-benzofuran-5-yl-(2,2-dimethylcyclopropyl)methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,3-dihydro-2-benzofuran-5-yl-(2,2-dimethylcyclopropyl)methanol?
The IUPAC name of 1,3-dihydro-2-benzofuran-5-yl-(2,2-dimethylcyclopropyl)methanol (CID 107002520) is 1,3-dihydro-2-benzofuran-5-yl-(2,2-dimethylcyclopropyl)methanol.
What is the SMILES notation for 1,3-dihydro-2-benzofuran-5-yl-(2,2-dimethylcyclopropyl)methanol?
The canonical SMILES for 1,3-dihydro-2-benzofuran-5-yl-(2,2-dimethylcyclopropyl)methanol is CC1(C)CC1C(O)c1ccc2c(c1)COC2.
What is the InChIKey of 1,3-dihydro-2-benzofuran-5-yl-(2,2-dimethylcyclopropyl)methanol?
The InChIKey is QZIKLVLTDHVMHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O2/c1-14(2)6-12(14)13(15)9-3-4-10-7-16-8-11(10)5-9/h3-5,12-13,15H,6-8H2,1-2H3.
What are the key properties of 1,3-dihydro-2-benzofuran-5-yl-(2,2-dimethylcyclopropyl)methanol?
1,3-dihydro-2-benzofuran-5-yl-(2,2-dimethylcyclopropyl)methanol has a molecular weight of 218.30 g/mol, XLogP of 2.80, 2 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-yl-(2,2-dimethylcyclopropyl)methanol is sourced from PubChem (CID 107002520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).