cyclohexyl-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methanol

C18H26O3 — CID 63893850

IUPACcyclohexyl-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methanol
SMILESCCOc1cc2c(cc1C(O)C1CCCCC1)OC(C)C2
InChIInChI=1S/C18H26O3/c1-3-20-17-10-14-9-12(2)21-16(14)11-15(17)18(19)13-7-5-4-6-8-13/h10-13,18-19H,3-9H2,1-2H3
InChIKeyGGZDNZAZKCJNJN-UHFFFAOYSA-N
MW290.40 g/mol
LogP4.02
Rot. Bonds4

About cyclohexyl-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methanol

cyclohexyl-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methanol (PubChem CID 63893850) has the molecular formula C18H26O3 and a molecular weight of 290.40 g/mol. Its IUPAC name is cyclohexyl-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methanol.

Molecular Properties

Compound Namecyclohexyl-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methanol
PubChem CID63893850
Molecular FormulaC18H26O3
Molecular Weight290.40 g/mol
Exact Mass290.19
IUPAC Namecyclohexyl-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methanol
SMILESCCOc1cc2c(cc1C(O)C1CCCCC1)OC(C)C2
InChIInChI=1S/C18H26O3/c1-3-20-17-10-14-9-12(2)21-16(14)11-15(17)18(19)13-7-5-4-6-8-13/h10-13,18-19H,3-9H2,1-2H3
InChIKeyGGZDNZAZKCJNJN-UHFFFAOYSA-N
XLogP4.02
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.40
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopentyl-1-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)ethanol
CID 65150918
cyclopentyl-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methanol
CID 115350010
2-amino-1-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)ethanol
CID 43209051
1-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)heptan-1-ol
CID 65150817
(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-hydroxymethanesulfonic acid
CID 103574423
1-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-(propylamino)ethanol
CID 62775282
2-amino-2-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)acetic acid
CID 24695376
ethyl 2-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-(methylamino)acetate
CID 60788248
(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-(oxolan-3-yl)methanol
CID 115349975
(3-bromofuran-2-yl)-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methanol
CID 63942614
2-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-(prop-2-enylamino)acetic acid
CID 62353082
(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-carboxylate
CID 7874317

Frequently Asked Questions

What is the IUPAC name of cyclohexyl-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methanol?
The IUPAC name of cyclohexyl-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methanol (CID 63893850) is cyclohexyl-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methanol.
What is the SMILES notation for cyclohexyl-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methanol?
The canonical SMILES for cyclohexyl-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methanol is CCOc1cc2c(cc1C(O)C1CCCCC1)OC(C)C2.
What is the InChIKey of cyclohexyl-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methanol?
The InChIKey is GGZDNZAZKCJNJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26O3/c1-3-20-17-10-14-9-12(2)21-16(14)11-15(17)18(19)13-7-5-4-6-8-13/h10-13,18-19H,3-9H2,1-2H3.
What are the key properties of cyclohexyl-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methanol?
cyclohexyl-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methanol has a molecular weight of 290.40 g/mol, XLogP of 4.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methanol is sourced from PubChem (CID 63893850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).