1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-(2-methoxy-5-methylphenyl)ethanol

C18H20O2 — CID 64986723

IUPAC1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-(2-methoxy-5-methylphenyl)ethanol
SMILESCOc1ccc(C)cc1CC(O)C1Cc2ccccc21
InChIInChI=1S/C18H20O2/c1-12-7-8-18(20-2)14(9-12)11-17(19)16-10-13-5-3-4-6-15(13)16/h3-9,16-17,19H,10-11H2,1-2H3
InChIKeyAQODHMDXBRWOSB-UHFFFAOYSA-N
MW268.36 g/mol
LogP3.25
Rot. Bonds4

About 1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-(2-methoxy-5-methylphenyl)ethanol

1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-(2-methoxy-5-methylphenyl)ethanol (PubChem CID 64986723) has the molecular formula C18H20O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is 1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-(2-methoxy-5-methylphenyl)ethanol.

Molecular Properties

Compound Name1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-(2-methoxy-5-methylphenyl)ethanol
PubChem CID64986723
Molecular FormulaC18H20O2
Molecular Weight268.36 g/mol
Exact Mass268.15
IUPAC Name1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-(2-methoxy-5-methylphenyl)ethanol
SMILESCOc1ccc(C)cc1CC(O)C1Cc2ccccc21
InChIInChI=1S/C18H20O2/c1-12-7-8-18(20-2)14(9-12)11-17(19)16-10-13-5-3-4-6-15(13)16/h3-9,16-17,19H,10-11H2,1-2H3
InChIKeyAQODHMDXBRWOSB-UHFFFAOYSA-N
XLogP3.25
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-(2-methoxy-5-methylphenyl)ethanol with MolForge

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Related Compounds

1-(2,3-dihydro-1-benzothiophen-3-yl)-2-(2-methoxy-5-methylphenyl)ethanol
CID 105083639
1-(3-bicyclo[3.1.0]hexanyl)-2-(2-methoxy-5-methylphenyl)ethanol
CID 115781398
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-(5-fluoro-2-methylphenyl)ethanol
CID 105373456
1-cyclobutyl-2-(2-methoxy-5-methylphenyl)ethanol
CID 64987117
1-(2,3-dihydro-1H-inden-2-yl)-2-(2-methoxy-5-methylphenyl)ethanamine
CID 65409528
2-(2-methoxy-5-methylphenyl)-1-(4-methylcyclohexyl)ethanol
CID 62159658
[1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-(5-bromo-2-methoxyphenyl)ethyl]hydrazine
CID 105224760
1-(4,4-difluorocyclohexyl)-2-(2-methoxy-5-methylphenyl)ethanol
CID 105083584
2-(2-methoxy-5-methylphenyl)-1-(1-phenylcyclopropyl)ethanol
CID 63078954
1-(2,6-difluorophenyl)-2-(2-methoxy-5-methylphenyl)ethanol
CID 63895079
1,2-bis(2-methoxy-5-methylphenyl)ethanol
CID 115781516
1-(2-aminophenyl)-2-(2-methoxy-5-methylphenyl)ethanol
CID 64833173

Frequently Asked Questions

What is the IUPAC name of 1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-(2-methoxy-5-methylphenyl)ethanol?
The IUPAC name of 1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-(2-methoxy-5-methylphenyl)ethanol (CID 64986723) is 1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-(2-methoxy-5-methylphenyl)ethanol.
What is the SMILES notation for 1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-(2-methoxy-5-methylphenyl)ethanol?
The canonical SMILES for 1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-(2-methoxy-5-methylphenyl)ethanol is COc1ccc(C)cc1CC(O)C1Cc2ccccc21.
What is the InChIKey of 1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-(2-methoxy-5-methylphenyl)ethanol?
The InChIKey is AQODHMDXBRWOSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O2/c1-12-7-8-18(20-2)14(9-12)11-17(19)16-10-13-5-3-4-6-15(13)16/h3-9,16-17,19H,10-11H2,1-2H3.
What are the key properties of 1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-(2-methoxy-5-methylphenyl)ethanol?
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-(2-methoxy-5-methylphenyl)ethanol has a molecular weight of 268.36 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-(2-methoxy-5-methylphenyl)ethanol is sourced from PubChem (CID 64986723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).