4-(2-cyclohepta-1,4,6-trien-1-ylethoxy)-2-methylcyclohepta-2,4,6-trien-1-ol

C17H20O2 — CID 142975906

IUPAC4-(2-cyclohepta-1,4,6-trien-1-ylethoxy)-2-methylcyclohepta-2,4,6-trien-1-ol
SMILESCC1=CC(OCCC2=CCC=CC=C2)=CC=CC1O
InChIInChI=1S/C17H20O2/c1-14-13-16(9-6-10-17(14)18)19-12-11-15-7-4-2-3-5-8-15/h2-4,6-10,13,17-18H,5,11-12H2,1H3
InChIKeyVVNLKRLURSOVLL-UHFFFAOYSA-N
MW256.34 g/mol
LogP3.60
Rot. Bonds4

About 4-(2-cyclohepta-1,4,6-trien-1-ylethoxy)-2-methylcyclohepta-2,4,6-trien-1-ol

4-(2-cyclohepta-1,4,6-trien-1-ylethoxy)-2-methylcyclohepta-2,4,6-trien-1-ol (PubChem CID 142975906) has the molecular formula C17H20O2 and a molecular weight of 256.34 g/mol. Its IUPAC name is 4-(2-cyclohepta-1,4,6-trien-1-ylethoxy)-2-methylcyclohepta-2,4,6-trien-1-ol.

Molecular Properties

Compound Name4-(2-cyclohepta-1,4,6-trien-1-ylethoxy)-2-methylcyclohepta-2,4,6-trien-1-ol
PubChem CID142975906
Molecular FormulaC17H20O2
Molecular Weight256.34 g/mol
Exact Mass256.15
IUPAC Name4-(2-cyclohepta-1,4,6-trien-1-ylethoxy)-2-methylcyclohepta-2,4,6-trien-1-ol
SMILESCC1=CC(OCCC2=CCC=CC=C2)=CC=CC1O
InChIInChI=1S/C17H20O2/c1-14-13-16(9-6-10-17(14)18)19-12-11-15-7-4-2-3-5-8-15/h2-4,6-10,13,17-18H,5,11-12H2,1H3
InChIKeyVVNLKRLURSOVLL-UHFFFAOYSA-N
XLogP3.60
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.34
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-(2-cyclohepta-1,4,6-trien-1-ylethoxy)-2-methylcyclohepta-2,4,6-trien-1-ol with MolForge

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Related Compounds

(2E,5R,6E)-5-methoxy-2,6-dimethylnona-2,6,8-trien-1-ol
CID 132087242
(E)-3-(4,6-dimethoxycyclohexa-1,5-dien-1-yl)prop-2-en-1-ol
CID 163678798
6-(2-Fluoro-2-methylbutoxy)-3-methylocta-3,5,7-trien-2-ol
CID 90947577
(5E,7Z,9E)-7,8-difluoro-9-[(5-methoxycyclohepta-1,4,6-trien-1-yl)methoxy]undeca-5,7,9-trien-1-ol
CID 137487712
(4E,7E,11Z,15Z)-8,15,16-trifluoro-5-methyl-6,9,10,13,14-pentamethylidene-17-pent-4-enoxyoctadeca-4,7,11,15,17-pentaen-2-ol
CID 143772461
(4E,7E,11Z,15Z)-8,15,16-trifluoro-5-methyl-6,9,10,13,14-pentamethylidene-17-prop-2-enoxyoctadeca-4,7,11,15,17-pentaen-2-ol
CID 143773228
(4E,7E,11Z,15Z)-7,15,16-trifluoro-5-methyl-6,9,10,13,14-pentamethylidene-17-prop-2-enoxyoctadeca-4,7,11,15,17-pentaen-2-ol
CID 143773271
2-[5-[[5-(Trifluoromethyl)cyclohepta-1,4,6-trien-1-yl]methoxy]cyclohepta-1,4,6-trien-1-yl]ethanol
CID 170147130
(2Z,4Z)-2-ethyl-3-methoxyhepta-2,4,6-trien-1-ol
CID 89192083
(2E,4E)-5-[(2Z,4E)-6-fluorohepta-2,4-dien-4-yl]oxy-2-[(E)-2-fluoroprop-1-enyl]hexa-2,4-dien-1-ol
CID 144515913
4-Methoxy-6-methylidenecyclohexa-2,4-dien-1-ol
CID 21257311
3-Methoxy-5-methylcyclohexa-2,4-dien-1-ol
CID 23451440

Frequently Asked Questions

What is the IUPAC name of 4-(2-cyclohepta-1,4,6-trien-1-ylethoxy)-2-methylcyclohepta-2,4,6-trien-1-ol?
The IUPAC name of 4-(2-cyclohepta-1,4,6-trien-1-ylethoxy)-2-methylcyclohepta-2,4,6-trien-1-ol (CID 142975906) is 4-(2-cyclohepta-1,4,6-trien-1-ylethoxy)-2-methylcyclohepta-2,4,6-trien-1-ol.
What is the SMILES notation for 4-(2-cyclohepta-1,4,6-trien-1-ylethoxy)-2-methylcyclohepta-2,4,6-trien-1-ol?
The canonical SMILES for 4-(2-cyclohepta-1,4,6-trien-1-ylethoxy)-2-methylcyclohepta-2,4,6-trien-1-ol is CC1=CC(OCCC2=CCC=CC=C2)=CC=CC1O.
What is the InChIKey of 4-(2-cyclohepta-1,4,6-trien-1-ylethoxy)-2-methylcyclohepta-2,4,6-trien-1-ol?
The InChIKey is VVNLKRLURSOVLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20O2/c1-14-13-16(9-6-10-17(14)18)19-12-11-15-7-4-2-3-5-8-15/h2-4,6-10,13,17-18H,5,11-12H2,1H3.
What are the key properties of 4-(2-cyclohepta-1,4,6-trien-1-ylethoxy)-2-methylcyclohepta-2,4,6-trien-1-ol?
4-(2-cyclohepta-1,4,6-trien-1-ylethoxy)-2-methylcyclohepta-2,4,6-trien-1-ol has a molecular weight of 256.34 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-cyclohepta-1,4,6-trien-1-ylethoxy)-2-methylcyclohepta-2,4,6-trien-1-ol is sourced from PubChem (CID 142975906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).