1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3,3-dimethylcyclohexan-1-ol

C18H26O2 — CID 65446994

IUPAC1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3,3-dimethylcyclohexan-1-ol
SMILESCC1(C)CCCC(O)(CCc2ccc3c(c2)CCO3)C1
InChIInChI=1S/C18H26O2/c1-17(2)8-3-9-18(19,13-17)10-6-14-4-5-16-15(12-14)7-11-20-16/h4-5,12,19H,3,6-11,13H2,1-2H3
InChIKeySIKOLPXFGGLTIB-UHFFFAOYSA-N
MW274.40 g/mol
LogP3.89
Rot. Bonds3

About 1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3,3-dimethylcyclohexan-1-ol

1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3,3-dimethylcyclohexan-1-ol (PubChem CID 65446994) has the molecular formula C18H26O2 and a molecular weight of 274.40 g/mol. Its IUPAC name is 1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3,3-dimethylcyclohexan-1-ol.

Molecular Properties

Compound Name1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3,3-dimethylcyclohexan-1-ol
PubChem CID65446994
Molecular FormulaC18H26O2
Molecular Weight274.40 g/mol
Exact Mass274.19
IUPAC Name1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3,3-dimethylcyclohexan-1-ol
SMILESCC1(C)CCCC(O)(CCc2ccc3c(c2)CCO3)C1
InChIInChI=1S/C18H26O2/c1-17(2)8-3-9-18(19,13-17)10-6-14-4-5-16-15(12-14)7-11-20-16/h4-5,12,19H,3,6-11,13H2,1-2H3
InChIKeySIKOLPXFGGLTIB-UHFFFAOYSA-N
XLogP3.89
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.40
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3,3-dimethylcyclopentan-1-ol
CID 80698664
1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2,2-dimethylcyclohexan-1-amine
CID 79836809
1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]cyclopentane-1-carboxylic acid
CID 79426418
2-(2,3-dihydro-1-benzofuran-5-yl)-N-[(1-methylcyclobutyl)methyl]ethanamine
CID 106813163
2-[1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]cyclopentyl]-N-methylethanamine
CID 65304047
3-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-fluoropiperidine
CID 112563003
1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-[(1-hydroxycyclohexyl)methyl]urea
CID 111335774
1-[3-(2,3-dihydro-1-benzofuran-5-yl)-1-hydroxypropyl]cyclopentan-1-ol
CID 103448228
3-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-fluoropyrrolidine
CID 112564401
N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1-methylcyclohexan-1-amine
CID 65445021
4-(2,3-dihydro-1-benzofuran-5-yl)-1-(1-methoxycyclobutyl)butan-2-ol
CID 103560129
3-(2,3-dihydro-1-benzofuran-5-yl)-1-(1-methoxycyclobutyl)propan-1-amine
CID 116713989

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3,3-dimethylcyclohexan-1-ol?
The IUPAC name of 1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3,3-dimethylcyclohexan-1-ol (CID 65446994) is 1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3,3-dimethylcyclohexan-1-ol.
What is the SMILES notation for 1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3,3-dimethylcyclohexan-1-ol?
The canonical SMILES for 1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3,3-dimethylcyclohexan-1-ol is CC1(C)CCCC(O)(CCc2ccc3c(c2)CCO3)C1.
What is the InChIKey of 1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3,3-dimethylcyclohexan-1-ol?
The InChIKey is SIKOLPXFGGLTIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26O2/c1-17(2)8-3-9-18(19,13-17)10-6-14-4-5-16-15(12-14)7-11-20-16/h4-5,12,19H,3,6-11,13H2,1-2H3.
What are the key properties of 1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3,3-dimethylcyclohexan-1-ol?
1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3,3-dimethylcyclohexan-1-ol has a molecular weight of 274.40 g/mol, XLogP of 3.89, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3,3-dimethylcyclohexan-1-ol is sourced from PubChem (CID 65446994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).