(3aS,8bR)-4-[(4-methoxyphenyl)methyl]-2,3a-dihydro-1H-furo[2,3-b]indol-8b-ol

C18H19NO3 — CID 101452309

IUPAC(3aS,8bR)-4-[(4-methoxyphenyl)methyl]-2,3a-dihydro-1H-furo[2,3-b]indol-8b-ol
SMILESCOc1ccc(CN2c3ccccc3[C@]3(O)CCO[C@H]23)cc1
InChIInChI=1S/C18H19NO3/c1-21-14-8-6-13(7-9-14)12-19-16-5-3-2-4-15(16)18(20)10-11-22-17(18)19/h2-9,17,20H,10-12H2,1H3/t17-,18+/m0/s1
InChIKeyDCZVUDKJZZGSSA-ZWKOTPCHSA-N
MW297.35 g/mol
LogP2.65
Rot. Bonds3

About (3aS,8bR)-4-[(4-methoxyphenyl)methyl]-2,3a-dihydro-1H-furo[2,3-b]indol-8b-ol

(3aS,8bR)-4-[(4-methoxyphenyl)methyl]-2,3a-dihydro-1H-furo[2,3-b]indol-8b-ol (PubChem CID 101452309) has the molecular formula C18H19NO3 and a molecular weight of 297.35 g/mol. Its IUPAC name is (3aS,8bR)-4-[(4-methoxyphenyl)methyl]-2,3a-dihydro-1H-furo[2,3-b]indol-8b-ol.

Molecular Properties

Compound Name(3aS,8bR)-4-[(4-methoxyphenyl)methyl]-2,3a-dihydro-1H-furo[2,3-b]indol-8b-ol
PubChem CID101452309
Molecular FormulaC18H19NO3
Molecular Weight297.35 g/mol
Exact Mass297.14
IUPAC Name(3aS,8bR)-4-[(4-methoxyphenyl)methyl]-2,3a-dihydro-1H-furo[2,3-b]indol-8b-ol
SMILESCOc1ccc(CN2c3ccccc3[C@]3(O)CCO[C@H]23)cc1
InChIInChI=1S/C18H19NO3/c1-21-14-8-6-13(7-9-14)12-19-16-5-3-2-4-15(16)18(20)10-11-22-17(18)19/h2-9,17,20H,10-12H2,1H3/t17-,18+/m0/s1
InChIKeyDCZVUDKJZZGSSA-ZWKOTPCHSA-N
XLogP2.65
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3aS,8bR)-4-[(4-methoxyphenyl)methyl]-2,3a-dihydro-1H-furo[2,3-b]indol-8b-ol with MolForge

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Related Compounds

(3aS,8bR)-4-benzyl-8b-(2,2-dimethoxyethyl)-2,3a-dihydro-1H-furo[2,3-b]indole
CID 102494492
[(2'R,3R)-1-[(4-methoxyphenyl)methyl]spiro[2H-indole-3,4'-oxolane]-2'-yl]-morpholin-4-ylmethanone
CID 124521340
[1-[(4-methoxyphenyl)methyl]spiro[2H-indole-3,4'-oxolane]-2'-yl]-pyrrolidin-1-ylmethanone
CID 131655489
8b-[1-(4-methoxyphenyl)prop-2-ynyl]-4-methyl-2,3a-dihydro-1H-furo[2,3-b]indole
CID 122380669
(4S,5R)-1-benzyl-4-hydroxy-5-[(4-methoxyphenyl)methyl]pyrrolidin-2-one
CID 134850808
(8bS)-4-benzyl-7-methoxy-3,3,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-3-ium
CID 10527534
4-[(4-methoxyphenyl)methyl]-13-oxa-4-azatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),7,9,11,14,16-hexaene
CID 68764179
(6aS,11bS)-3-(3-chloropropyl)-7-[(4-methoxyphenyl)methyl]-1,2,6,6a-tetrahydropyrrolo[2,3-d]carbazol-5-one
CID 162411373
(8bS)-4-benzyl-7-methoxy-3,3,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-3-ium iodide
CID 10527533
(3R)-3-hydroxy-1-[(4-methoxyphenyl)methyl]-3-prop-2-enylindol-2-one
CID 24862080
3-ethyl-4-[(4-methoxyphenyl)methyl]-1,3-dihydroquinoxalin-2-one
CID 71173465
(2S)-3-[(4-methoxyphenyl)methyl]-2-[1-(2-methoxyphenyl)pyrrol-3-yl]-1,3-oxazolidine
CID 99965866

Frequently Asked Questions

What is the IUPAC name of (3aS,8bR)-4-[(4-methoxyphenyl)methyl]-2,3a-dihydro-1H-furo[2,3-b]indol-8b-ol?
The IUPAC name of (3aS,8bR)-4-[(4-methoxyphenyl)methyl]-2,3a-dihydro-1H-furo[2,3-b]indol-8b-ol (CID 101452309) is (3aS,8bR)-4-[(4-methoxyphenyl)methyl]-2,3a-dihydro-1H-furo[2,3-b]indol-8b-ol.
What is the SMILES notation for (3aS,8bR)-4-[(4-methoxyphenyl)methyl]-2,3a-dihydro-1H-furo[2,3-b]indol-8b-ol?
The canonical SMILES for (3aS,8bR)-4-[(4-methoxyphenyl)methyl]-2,3a-dihydro-1H-furo[2,3-b]indol-8b-ol is COc1ccc(CN2c3ccccc3[C@]3(O)CCO[C@H]23)cc1.
What is the InChIKey of (3aS,8bR)-4-[(4-methoxyphenyl)methyl]-2,3a-dihydro-1H-furo[2,3-b]indol-8b-ol?
The InChIKey is DCZVUDKJZZGSSA-ZWKOTPCHSA-N. The full InChI is InChI=1S/C18H19NO3/c1-21-14-8-6-13(7-9-14)12-19-16-5-3-2-4-15(16)18(20)10-11-22-17(18)19/h2-9,17,20H,10-12H2,1H3/t17-,18+/m0/s1.
What are the key properties of (3aS,8bR)-4-[(4-methoxyphenyl)methyl]-2,3a-dihydro-1H-furo[2,3-b]indol-8b-ol?
(3aS,8bR)-4-[(4-methoxyphenyl)methyl]-2,3a-dihydro-1H-furo[2,3-b]indol-8b-ol has a molecular weight of 297.35 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,8bR)-4-[(4-methoxyphenyl)methyl]-2,3a-dihydro-1H-furo[2,3-b]indol-8b-ol is sourced from PubChem (CID 101452309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).