8-(4,5,6,7-tetramethoxy-2,3-dihydro-1H-inden-1-yl)octan-1-ol

C21H34O5 — CID 54095288

IUPAC8-(4,5,6,7-tetramethoxy-2,3-dihydro-1H-inden-1-yl)octan-1-ol
SMILESCOc1c2c(c(OC)c(OC)c1OC)C(CCCCCCCCO)CC2
InChIInChI=1S/C21H34O5/c1-23-18-16-13-12-15(11-9-7-5-6-8-10-14-22)17(16)19(24-2)21(26-4)20(18)25-3/h15,22H,5-14H2,1-4H3
InChIKeyMWRGUUVVHRWVEB-UHFFFAOYSA-N
MW366.50 g/mol
LogP4.47
Rot. Bonds12

About 8-(4,5,6,7-tetramethoxy-2,3-dihydro-1H-inden-1-yl)octan-1-ol

8-(4,5,6,7-tetramethoxy-2,3-dihydro-1H-inden-1-yl)octan-1-ol (PubChem CID 54095288) has the molecular formula C21H34O5 and a molecular weight of 366.50 g/mol. Its IUPAC name is 8-(4,5,6,7-tetramethoxy-2,3-dihydro-1H-inden-1-yl)octan-1-ol.

Molecular Properties

Compound Name8-(4,5,6,7-tetramethoxy-2,3-dihydro-1H-inden-1-yl)octan-1-ol
PubChem CID54095288
Molecular FormulaC21H34O5
Molecular Weight366.50 g/mol
Exact Mass366.24
IUPAC Name8-(4,5,6,7-tetramethoxy-2,3-dihydro-1H-inden-1-yl)octan-1-ol
SMILESCOc1c2c(c(OC)c(OC)c1OC)C(CCCCCCCCO)CC2
InChIInChI=1S/C21H34O5/c1-23-18-16-13-12-15(11-9-7-5-6-8-10-14-22)17(16)19(24-2)21(26-4)20(18)25-3/h15,22H,5-14H2,1-4H3
InChIKeyMWRGUUVVHRWVEB-UHFFFAOYSA-N
XLogP4.47
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.50
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(1,2,3,4-tetramethoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-yl)propane-1-sulfonic acid
CID 57117240
7,8,9,14,15,16-hexamethoxypentacyclo[8.6.2.02,5.06,18.013,17]octadeca-1(16),6,8,10(18),13(17),14-hexaene
CID 102373586
(5S)-5-heptyl-3-methoxy-2-methyl-1,5,6,7-tetrahydroquinoline-4,8-dione
CID 6426680
(5S)-3-methoxy-2-methyl-5-octyl-1,5,6,7-tetrahydroquinoline-4,8-dione
CID 6426678
methoxymethane;octane-1,8-diol
CID 175193596
3-(5-hydroxypentyl)pyrrolidin-2-one
CID 104679269
8-(2,2-dimethylcyclopropyl)octan-1-ol
CID 156501168
6-[4-(6-hydroxyhexoxy)cyclohexyl]oxyhexan-1-ol
CID 54433069
8-cyclopentyloctan-1-ol
CID 19083491
11-[(2R)-1-methylpyrrolidin-2-yl]undecan-1-ol
CID 11777143
4-piperidin-1-yl-1-[8-(4,5,6,7-tetramethoxy-2,3-dihydro-1H-inden-2-yl)octyl]piperidine;dihydrochloride
CID 18348507
3-(5-hydroxypentyl)azepan-2-one
CID 104679507

Frequently Asked Questions

What is the IUPAC name of 8-(4,5,6,7-tetramethoxy-2,3-dihydro-1H-inden-1-yl)octan-1-ol?
The IUPAC name of 8-(4,5,6,7-tetramethoxy-2,3-dihydro-1H-inden-1-yl)octan-1-ol (CID 54095288) is 8-(4,5,6,7-tetramethoxy-2,3-dihydro-1H-inden-1-yl)octan-1-ol.
What is the SMILES notation for 8-(4,5,6,7-tetramethoxy-2,3-dihydro-1H-inden-1-yl)octan-1-ol?
The canonical SMILES for 8-(4,5,6,7-tetramethoxy-2,3-dihydro-1H-inden-1-yl)octan-1-ol is COc1c2c(c(OC)c(OC)c1OC)C(CCCCCCCCO)CC2.
What is the InChIKey of 8-(4,5,6,7-tetramethoxy-2,3-dihydro-1H-inden-1-yl)octan-1-ol?
The InChIKey is MWRGUUVVHRWVEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34O5/c1-23-18-16-13-12-15(11-9-7-5-6-8-10-14-22)17(16)19(24-2)21(26-4)20(18)25-3/h15,22H,5-14H2,1-4H3.
What are the key properties of 8-(4,5,6,7-tetramethoxy-2,3-dihydro-1H-inden-1-yl)octan-1-ol?
8-(4,5,6,7-tetramethoxy-2,3-dihydro-1H-inden-1-yl)octan-1-ol has a molecular weight of 366.50 g/mol, XLogP of 4.47, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4,5,6,7-tetramethoxy-2,3-dihydro-1H-inden-1-yl)octan-1-ol is sourced from PubChem (CID 54095288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).