2-(2,3-dihydro-1-benzofuran-7-yl)-4-methylpentan-2-ol

C14H20O2 — CID 114743757

IUPAC2-(2,3-dihydro-1-benzofuran-7-yl)-4-methylpentan-2-ol
SMILESCC(C)CC(C)(O)c1cccc2c1OCC2
InChIInChI=1S/C14H20O2/c1-10(2)9-14(3,15)12-6-4-5-11-7-8-16-13(11)12/h4-6,10,15H,7-9H2,1-3H3
InChIKeyJEQFWDNMJDDHRT-UHFFFAOYSA-N
MW220.31 g/mol
LogP2.88
Rot. Bonds3

About 2-(2,3-dihydro-1-benzofuran-7-yl)-4-methylpentan-2-ol

2-(2,3-dihydro-1-benzofuran-7-yl)-4-methylpentan-2-ol (PubChem CID 114743757) has the molecular formula C14H20O2 and a molecular weight of 220.31 g/mol. Its IUPAC name is 2-(2,3-dihydro-1-benzofuran-7-yl)-4-methylpentan-2-ol.

Molecular Properties

Compound Name2-(2,3-dihydro-1-benzofuran-7-yl)-4-methylpentan-2-ol
PubChem CID114743757
Molecular FormulaC14H20O2
Molecular Weight220.31 g/mol
Exact Mass220.15
IUPAC Name2-(2,3-dihydro-1-benzofuran-7-yl)-4-methylpentan-2-ol
SMILESCC(C)CC(C)(O)c1cccc2c1OCC2
InChIInChI=1S/C14H20O2/c1-10(2)9-14(3,15)12-6-4-5-11-7-8-16-13(11)12/h4-6,10,15H,7-9H2,1-3H3
InChIKeyJEQFWDNMJDDHRT-UHFFFAOYSA-N
XLogP2.88
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,3-dihydro-1-benzofuran-7-yl)-1,1,1-trifluoro-4-methylpentan-2-ol
CID 143454738
7-(2,4,4-trimethylpentan-2-yl)-2,3-dihydro-1-benzofuran
CID 173236217
4-(2,3-dihydro-1-benzofuran-7-yl)-4-methylpentan-2-one
CID 114746860
(2S)-2-(aminomethyl)-4-(2,3-dihydro-1-benzofuran-7-yl)-1,1,1-trifluoro-4-methylpentan-2-ol
CID 15605604
2-(2,3-dihydro-1-benzofuran-7-yl)-1-methoxypropan-2-amine
CID 114743871
1-(2,3-dihydro-1-benzofuran-7-yl)-2-methylbutane-1,2-diol
CID 103448783
1-(2,3-dihydro-1-benzofuran-7-yl)ethanol
CID 68614116
1-(2,3-dihydro-1-benzofuran-7-yl)-3,3-dimethylbutan-1-amine
CID 114745358
7-[2-(2-methylpropyl)cyclopropyl]-2,3-dihydro-1-benzofuran
CID 177208812
1-(2,3-dihydro-1-benzofuran-7-yl)-1-(4-methylphenyl)ethanamine
CID 114743817
4-(2,3-dihydro-1-benzofuran-7-yl)-2-[(3,5-dimethylphenyl)methyl]-1,1,1-trifluoro-4-methylpentan-2-ol
CID 10194169
2-(2-chlorophenyl)-4-methylpentan-2-ol
CID 43810129

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1-benzofuran-7-yl)-4-methylpentan-2-ol?
The IUPAC name of 2-(2,3-dihydro-1-benzofuran-7-yl)-4-methylpentan-2-ol (CID 114743757) is 2-(2,3-dihydro-1-benzofuran-7-yl)-4-methylpentan-2-ol.
What is the SMILES notation for 2-(2,3-dihydro-1-benzofuran-7-yl)-4-methylpentan-2-ol?
The canonical SMILES for 2-(2,3-dihydro-1-benzofuran-7-yl)-4-methylpentan-2-ol is CC(C)CC(C)(O)c1cccc2c1OCC2.
What is the InChIKey of 2-(2,3-dihydro-1-benzofuran-7-yl)-4-methylpentan-2-ol?
The InChIKey is JEQFWDNMJDDHRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O2/c1-10(2)9-14(3,15)12-6-4-5-11-7-8-16-13(11)12/h4-6,10,15H,7-9H2,1-3H3.
What are the key properties of 2-(2,3-dihydro-1-benzofuran-7-yl)-4-methylpentan-2-ol?
2-(2,3-dihydro-1-benzofuran-7-yl)-4-methylpentan-2-ol has a molecular weight of 220.31 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1-benzofuran-7-yl)-4-methylpentan-2-ol is sourced from PubChem (CID 114743757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).