5-(2,3-dihydro-1-benzofuran-2-yl)-4,4-dimethylpentan-2-ol

C15H22O2 — CID 66365997

IUPAC5-(2,3-dihydro-1-benzofuran-2-yl)-4,4-dimethylpentan-2-ol
SMILESCC(O)CC(C)(C)CC1Cc2ccccc2O1
InChIInChI=1S/C15H22O2/c1-11(16)9-15(2,3)10-13-8-12-6-4-5-7-14(12)17-13/h4-7,11,13,16H,8-10H2,1-3H3
InChIKeyVJZZLDPAFYVNDQ-UHFFFAOYSA-N
MW234.34 g/mol
LogP3.18
Rot. Bonds4

About 5-(2,3-dihydro-1-benzofuran-2-yl)-4,4-dimethylpentan-2-ol

5-(2,3-dihydro-1-benzofuran-2-yl)-4,4-dimethylpentan-2-ol (PubChem CID 66365997) has the molecular formula C15H22O2 and a molecular weight of 234.34 g/mol. Its IUPAC name is 5-(2,3-dihydro-1-benzofuran-2-yl)-4,4-dimethylpentan-2-ol.

Molecular Properties

Compound Name5-(2,3-dihydro-1-benzofuran-2-yl)-4,4-dimethylpentan-2-ol
PubChem CID66365997
Molecular FormulaC15H22O2
Molecular Weight234.34 g/mol
Exact Mass234.16
IUPAC Name5-(2,3-dihydro-1-benzofuran-2-yl)-4,4-dimethylpentan-2-ol
SMILESCC(O)CC(C)(C)CC1Cc2ccccc2O1
InChIInChI=1S/C15H22O2/c1-11(16)9-15(2,3)10-13-8-12-6-4-5-7-14(12)17-13/h4-7,11,13,16H,8-10H2,1-3H3
InChIKeyVJZZLDPAFYVNDQ-UHFFFAOYSA-N
XLogP3.18
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-(2,3-dihydro-1-benzofuran-2-yl)-4,4-dimethyl-N-propylpentan-2-amine
CID 66364834
4-(2,3-dihydro-1-benzofuran-2-yl)-3-methylbutan-2-ol
CID 66363239
2-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2,3-dimethyl-N-propan-2-ylbutan-1-amine
CID 83151189
3-(2,3-dihydro-1-benzofuran-2-ylmethyl)-4-methylpentan-2-ol
CID 66363821
2-(aminomethyl)-2-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-methylbutanoic acid
CID 106488473
3-(2,3-dihydro-1-benzofuran-2-yl)-2-methylpropan-1-amine
CID 66363440
2-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2,3-dimethyl-N-propylbutan-1-amine
CID 83159219
2-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-methyl-N-(2-methylpropyl)butan-1-amine
CID 66364616
2-[2,2-bis(bromomethyl)pentyl]-2,3-dihydro-1-benzofuran
CID 79456341
1-(2,3-dihydro-1-benzofuran-2-yl)-N,N-dimethylmethanamine
CID 2842479
2-cyclopropyl-3-(2,3-dihydro-1-benzofuran-2-yl)-2-methyl-N-(2-methylpropyl)propan-1-amine
CID 83150671
2-(aminomethyl)-2-(2,3-dihydro-1-benzofuran-2-ylmethyl)pentan-1-ol
CID 106506404

Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dihydro-1-benzofuran-2-yl)-4,4-dimethylpentan-2-ol?
The IUPAC name of 5-(2,3-dihydro-1-benzofuran-2-yl)-4,4-dimethylpentan-2-ol (CID 66365997) is 5-(2,3-dihydro-1-benzofuran-2-yl)-4,4-dimethylpentan-2-ol.
What is the SMILES notation for 5-(2,3-dihydro-1-benzofuran-2-yl)-4,4-dimethylpentan-2-ol?
The canonical SMILES for 5-(2,3-dihydro-1-benzofuran-2-yl)-4,4-dimethylpentan-2-ol is CC(O)CC(C)(C)CC1Cc2ccccc2O1.
What is the InChIKey of 5-(2,3-dihydro-1-benzofuran-2-yl)-4,4-dimethylpentan-2-ol?
The InChIKey is VJZZLDPAFYVNDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O2/c1-11(16)9-15(2,3)10-13-8-12-6-4-5-7-14(12)17-13/h4-7,11,13,16H,8-10H2,1-3H3.
What are the key properties of 5-(2,3-dihydro-1-benzofuran-2-yl)-4,4-dimethylpentan-2-ol?
5-(2,3-dihydro-1-benzofuran-2-yl)-4,4-dimethylpentan-2-ol has a molecular weight of 234.34 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dihydro-1-benzofuran-2-yl)-4,4-dimethylpentan-2-ol is sourced from PubChem (CID 66365997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).