6,9-dimethoxy-4-(4-methoxyphenyl)-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[a]naphthalene

C22H26O3 — CID 66651952

IUPAC6,9-dimethoxy-4-(4-methoxyphenyl)-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[a]naphthalene
SMILESCOc1ccc(C2Cc3c(OC)ccc(OC)c3C3CCCC23)cc1
InChIInChI=1S/C22H26O3/c1-23-15-9-7-14(8-10-15)18-13-19-20(24-2)11-12-21(25-3)22(19)17-6-4-5-16(17)18/h7-12,16-18H,4-6,13H2,1-3H3
InChIKeyQSTNAMPSYDQNRI-UHFFFAOYSA-N
MW338.45 g/mol
LogP4.94
Rot. Bonds4

About 6,9-dimethoxy-4-(4-methoxyphenyl)-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[a]naphthalene

6,9-dimethoxy-4-(4-methoxyphenyl)-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[a]naphthalene (PubChem CID 66651952) has the molecular formula C22H26O3 and a molecular weight of 338.45 g/mol. Its IUPAC name is 6,9-dimethoxy-4-(4-methoxyphenyl)-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[a]naphthalene.

Molecular Properties

Compound Name6,9-dimethoxy-4-(4-methoxyphenyl)-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[a]naphthalene
PubChem CID66651952
Molecular FormulaC22H26O3
Molecular Weight338.45 g/mol
Exact Mass338.19
IUPAC Name6,9-dimethoxy-4-(4-methoxyphenyl)-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[a]naphthalene
SMILESCOc1ccc(C2Cc3c(OC)ccc(OC)c3C3CCCC23)cc1
InChIInChI=1S/C22H26O3/c1-23-15-9-7-14(8-10-15)18-13-19-20(24-2)11-12-21(25-3)22(19)17-6-4-5-16(17)18/h7-12,16-18H,4-6,13H2,1-3H3
InChIKeyQSTNAMPSYDQNRI-UHFFFAOYSA-N
XLogP4.94
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 6,9-dimethoxy-4-(4-methoxyphenyl)-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[a]naphthalene with MolForge

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Related Compounds

1-methoxy-4-[2-(4-methoxyphenyl)cyclohexyl]benzene
CID 101244821
1-methoxy-4-[(1S,2R)-2-methoxycyclohexyl]benzene
CID 138979383
methyl (4bR,8aR,9R)-3-methoxy-9-(4-methoxyphenyl)-4b,5,6,7,8,8a,9,10-octahydrophenanthrene-1-carboxylate
CID 59504340
cyclopentyl-[4-(4-methoxyphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-dimethylsilane
CID 162294814
2-[4-(4-methoxyphenyl)phenyl]cyclopentan-1-amine
CID 69111845
4-[2-[(2S)-6-methoxy-3,4-dihydro-2H-chromen-2-yl]cyclopentyl]phenol
CID 142775367
(1S,2S)-4,6-dimethoxy-2-(4-methoxyphenyl)-2,3-dihydro-1H-inden-1-ol
CID 71027995
ethyl (E)-3-[(4bR,8aR,9R)-3-methoxy-9-(4-methoxyphenyl)-4b,5,6,7,8,8a,9,10-octahydrophenanthren-2-yl]prop-2-enoate
CID 59504344
cis-(1S,2R)-2-(4-methoxyphenyl)cyclohexane-1-carboxylic acid
CID 91536738
2-(4-methoxyphenyl)cycloheptane-1-carbonitrile
CID 82242717
N-[[2-(4-methoxyphenyl)cyclopentyl]methyl]-2-methylpropan-2-amine
CID 81027158
1-(2-chlorocyclopropyl)-4-methoxybenzene
CID 53421606

Frequently Asked Questions

What is the IUPAC name of 6,9-dimethoxy-4-(4-methoxyphenyl)-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[a]naphthalene?
The IUPAC name of 6,9-dimethoxy-4-(4-methoxyphenyl)-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[a]naphthalene (CID 66651952) is 6,9-dimethoxy-4-(4-methoxyphenyl)-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[a]naphthalene.
What is the SMILES notation for 6,9-dimethoxy-4-(4-methoxyphenyl)-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[a]naphthalene?
The canonical SMILES for 6,9-dimethoxy-4-(4-methoxyphenyl)-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[a]naphthalene is COc1ccc(C2Cc3c(OC)ccc(OC)c3C3CCCC23)cc1.
What is the InChIKey of 6,9-dimethoxy-4-(4-methoxyphenyl)-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[a]naphthalene?
The InChIKey is QSTNAMPSYDQNRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26O3/c1-23-15-9-7-14(8-10-15)18-13-19-20(24-2)11-12-21(25-3)22(19)17-6-4-5-16(17)18/h7-12,16-18H,4-6,13H2,1-3H3.
What are the key properties of 6,9-dimethoxy-4-(4-methoxyphenyl)-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[a]naphthalene?
6,9-dimethoxy-4-(4-methoxyphenyl)-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[a]naphthalene has a molecular weight of 338.45 g/mol, XLogP of 4.94, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,9-dimethoxy-4-(4-methoxyphenyl)-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[a]naphthalene is sourced from PubChem (CID 66651952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).