4-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethoxy)-2,3-dihydro-1H-inden-1-ol

C18H18O2 — CID 66419924

IUPAC4-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethoxy)-2,3-dihydro-1H-inden-1-ol
SMILESOC1CCc2c(OCC3Cc4ccccc43)cccc21
InChIInChI=1S/C18H18O2/c19-17-9-8-16-15(17)6-3-7-18(16)20-11-13-10-12-4-1-2-5-14(12)13/h1-7,13,17,19H,8-11H2
InChIKeyWAJWLNWIEKETSL-UHFFFAOYSA-N
MW266.34 g/mol
LogP3.38
Rot. Bonds3

About 4-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethoxy)-2,3-dihydro-1H-inden-1-ol

4-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethoxy)-2,3-dihydro-1H-inden-1-ol (PubChem CID 66419924) has the molecular formula C18H18O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is 4-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethoxy)-2,3-dihydro-1H-inden-1-ol.

Molecular Properties

Compound Name4-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethoxy)-2,3-dihydro-1H-inden-1-ol
PubChem CID66419924
Molecular FormulaC18H18O2
Molecular Weight266.34 g/mol
Exact Mass266.13
IUPAC Name4-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethoxy)-2,3-dihydro-1H-inden-1-ol
SMILESOC1CCc2c(OCC3Cc4ccccc43)cccc21
InChIInChI=1S/C18H18O2/c19-17-9-8-16-15(17)6-3-7-18(16)20-11-13-10-12-4-1-2-5-14(12)13/h1-7,13,17,19H,8-11H2
InChIKeyWAJWLNWIEKETSL-UHFFFAOYSA-N
XLogP3.38
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethoxy)-2,3-dihydro-1H-inden-1-ol with MolForge

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Related Compounds

(1R)-4-(cyclopropylmethoxy)-2,3-dihydro-1H-inden-1-ol
CID 95012649
2-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethoxy)phenol
CID 66417200
4-[[(1S,2R,4S)-4-chloro-2-hydroxycyclopentyl]methoxy]-2,3-dihydro-1H-inden-1-ol
CID 89299936
N-[4-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethoxy)-2,3-dihydroinden-1-ylidene]hydroxylamine
CID 77133271
2-[(1-hydroxy-2,3-dihydro-1H-inden-4-yl)oxy]acetonitrile
CID 63090888
4-(3-phenylpropoxy)-2,3-dihydro-1H-inden-1-ol
CID 63091389
4-[2-hydroxy-3-(1,2,3,4-tetrahydronaphthalen-2-ylamino)propoxy]-2,3-dihydro-1H-inden-1-ol
CID 14750994
4-[(2-bromophenyl)methoxy]-2,3-dihydro-1H-inden-1-ol
CID 63091043
4-[2-(2-hydroxyethoxy)ethoxy]-2,3-dihydro-1H-inden-1-ol
CID 55179905
4-but-3-ynoxy-2,3-dihydro-1H-inden-1-ol
CID 63091221
5-[(1-hydroxy-2,3-dihydro-1H-inden-4-yl)oxymethyl]-1,3-oxazolidin-2-one
CID 63091025
4-(2-pyridin-2-ylethoxy)-2,3-dihydro-1H-inden-1-ol
CID 63090709

Frequently Asked Questions

What is the IUPAC name of 4-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethoxy)-2,3-dihydro-1H-inden-1-ol?
The IUPAC name of 4-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethoxy)-2,3-dihydro-1H-inden-1-ol (CID 66419924) is 4-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethoxy)-2,3-dihydro-1H-inden-1-ol.
What is the SMILES notation for 4-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethoxy)-2,3-dihydro-1H-inden-1-ol?
The canonical SMILES for 4-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethoxy)-2,3-dihydro-1H-inden-1-ol is OC1CCc2c(OCC3Cc4ccccc43)cccc21.
What is the InChIKey of 4-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethoxy)-2,3-dihydro-1H-inden-1-ol?
The InChIKey is WAJWLNWIEKETSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O2/c19-17-9-8-16-15(17)6-3-7-18(16)20-11-13-10-12-4-1-2-5-14(12)13/h1-7,13,17,19H,8-11H2.
What are the key properties of 4-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethoxy)-2,3-dihydro-1H-inden-1-ol?
4-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethoxy)-2,3-dihydro-1H-inden-1-ol has a molecular weight of 266.34 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethoxy)-2,3-dihydro-1H-inden-1-ol is sourced from PubChem (CID 66419924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).