[(6R,7R)-7-(4-methoxyphenyl)-6,7-dihydro-5H-cyclopenta[f][1,3]benzodioxol-6-yl]methanol

C18H18O4 — CID 171383652

IUPAC[(6R,7R)-7-(4-methoxyphenyl)-6,7-dihydro-5H-cyclopenta[f][1,3]benzodioxol-6-yl]methanol
SMILESCOc1ccc([C@@H]2c3cc4c(cc3C[C@H]2CO)OCO4)cc1
InChIInChI=1S/C18H18O4/c1-20-14-4-2-11(3-5-14)18-13(9-19)6-12-7-16-17(8-15(12)18)22-10-21-16/h2-5,7-8,13,18-19H,6,9-10H2,1H3/t13-,18-/m0/s1
InChIKeySNTKQPQQGRUGCH-UGSOOPFHSA-N
MW298.34 g/mol
LogP2.72
Rot. Bonds3

About [(6R,7R)-7-(4-methoxyphenyl)-6,7-dihydro-5H-cyclopenta[f][1,3]benzodioxol-6-yl]methanol

[(6R,7R)-7-(4-methoxyphenyl)-6,7-dihydro-5H-cyclopenta[f][1,3]benzodioxol-6-yl]methanol (PubChem CID 171383652) has the molecular formula C18H18O4 and a molecular weight of 298.34 g/mol. Its IUPAC name is [(6R,7R)-7-(4-methoxyphenyl)-6,7-dihydro-5H-cyclopenta[f][1,3]benzodioxol-6-yl]methanol.

Molecular Properties

Compound Name[(6R,7R)-7-(4-methoxyphenyl)-6,7-dihydro-5H-cyclopenta[f][1,3]benzodioxol-6-yl]methanol
PubChem CID171383652
Molecular FormulaC18H18O4
Molecular Weight298.34 g/mol
Exact Mass298.12
IUPAC Name[(6R,7R)-7-(4-methoxyphenyl)-6,7-dihydro-5H-cyclopenta[f][1,3]benzodioxol-6-yl]methanol
SMILESCOc1ccc([C@@H]2c3cc4c(cc3C[C@H]2CO)OCO4)cc1
InChIInChI=1S/C18H18O4/c1-20-14-4-2-11(3-5-14)18-13(9-19)6-12-7-16-17(8-15(12)18)22-10-21-16/h2-5,7-8,13,18-19H,6,9-10H2,1H3/t13-,18-/m0/s1
InChIKeySNTKQPQQGRUGCH-UGSOOPFHSA-N
XLogP2.72
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [(6R,7R)-7-(4-methoxyphenyl)-6,7-dihydro-5H-cyclopenta[f][1,3]benzodioxol-6-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 7-(hydroxymethyl)-5-(3,4,5-trimethoxyphenyl)-5,6,7,8-tetrahydrobenzo[f][1,3]benzodioxole-6-carboxylate
CID 85323413
(5R,6S,7S)-5-(3,4-dimethoxyphenyl)-6,7-bis(methoxymethyl)-5,6,7,8-tetrahydrobenzo[f][1,3]benzodioxole
CID 101241675
8-(4-methoxyphenyl)-6,6,7-trimethyl-7,8-dihydro-[1,3]dioxolo[4,5-g]chromene
CID 18337459
(6S,7S)-6-(4-methoxyphenyl)-7-[(E)-3-(4-methoxyphenyl)prop-2-enyl]-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromene
CID 92530267
(5R,6R,7S)-5-(3,4-dimethoxyphenyl)-6,7-dimethyl-5,6,7,8-tetrahydrobenzo[f][1,3]benzodioxole
CID 15559453
(2R)-1-(1,3-benzodioxol-5-yl)-5-hydroxy-3-(4-methoxyphenyl)-2,3-dihydro-1H-indene-2-carboxylic acid
CID 70129776
1-[(6R,7R,8S)-8-(4-methoxyphenyl)-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl]-2-phenylhydrazine
CID 10597356
[(1R)-2-(4-methoxyphenyl)cyclopropyl]methanol
CID 130347062
1-[(6R,7R,8R)-8-(4-methoxyphenyl)-6,7-dimethyl-7,8-dihydro-[1,3]dioxolo[4,5-g]chromen-6-yl]pyrrolidin-1-ium
CID 7601809
1-[(6R,7S,8S)-8-(4-methoxyphenyl)-6,7-dimethyl-7,8-dihydro-[1,3]dioxolo[4,5-g]chromen-6-yl]pyrrolidin-1-ium
CID 7601886
1-(1,3-benzodioxol-5-yl)-3-(4-methoxyphenyl)-2,3-dihydro-1H-isoindole
CID 15859200
1-[(6R,7R,8R)-8-(4-methoxyphenyl)-6,7-dimethyl-7,8-dihydro-[1,3]dioxolo[4,5-g]chromen-6-yl]pyrrolidine
CID 7601810

Frequently Asked Questions

What is the IUPAC name of [(6R,7R)-7-(4-methoxyphenyl)-6,7-dihydro-5H-cyclopenta[f][1,3]benzodioxol-6-yl]methanol?
The IUPAC name of [(6R,7R)-7-(4-methoxyphenyl)-6,7-dihydro-5H-cyclopenta[f][1,3]benzodioxol-6-yl]methanol (CID 171383652) is [(6R,7R)-7-(4-methoxyphenyl)-6,7-dihydro-5H-cyclopenta[f][1,3]benzodioxol-6-yl]methanol.
What is the SMILES notation for [(6R,7R)-7-(4-methoxyphenyl)-6,7-dihydro-5H-cyclopenta[f][1,3]benzodioxol-6-yl]methanol?
The canonical SMILES for [(6R,7R)-7-(4-methoxyphenyl)-6,7-dihydro-5H-cyclopenta[f][1,3]benzodioxol-6-yl]methanol is COc1ccc([C@@H]2c3cc4c(cc3C[C@H]2CO)OCO4)cc1.
What is the InChIKey of [(6R,7R)-7-(4-methoxyphenyl)-6,7-dihydro-5H-cyclopenta[f][1,3]benzodioxol-6-yl]methanol?
The InChIKey is SNTKQPQQGRUGCH-UGSOOPFHSA-N. The full InChI is InChI=1S/C18H18O4/c1-20-14-4-2-11(3-5-14)18-13(9-19)6-12-7-16-17(8-15(12)18)22-10-21-16/h2-5,7-8,13,18-19H,6,9-10H2,1H3/t13-,18-/m0/s1.
What are the key properties of [(6R,7R)-7-(4-methoxyphenyl)-6,7-dihydro-5H-cyclopenta[f][1,3]benzodioxol-6-yl]methanol?
[(6R,7R)-7-(4-methoxyphenyl)-6,7-dihydro-5H-cyclopenta[f][1,3]benzodioxol-6-yl]methanol has a molecular weight of 298.34 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(6R,7R)-7-(4-methoxyphenyl)-6,7-dihydro-5H-cyclopenta[f][1,3]benzodioxol-6-yl]methanol is sourced from PubChem (CID 171383652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).