(1S,2S)-4,6-dimethoxy-2-(4-methoxyphenyl)-2,3-dihydro-1H-inden-1-ol

C18H20O4 — CID 71027995

IUPAC(1S,2S)-4,6-dimethoxy-2-(4-methoxyphenyl)-2,3-dihydro-1H-inden-1-ol
SMILESCOc1ccc([C@@H]2Cc3c(OC)cc(OC)cc3[C@H]2O)cc1
InChIInChI=1S/C18H20O4/c1-20-12-6-4-11(5-7-12)14-10-15-16(18(14)19)8-13(21-2)9-17(15)22-3/h4-9,14,18-19H,10H2,1-3H3/t14-,18-/m0/s1
InChIKeyDNTBUVUPGZRJTC-KSSFIOAISA-N
MW300.35 g/mol
LogP3.09
Rot. Bonds4

About (1S,2S)-4,6-dimethoxy-2-(4-methoxyphenyl)-2,3-dihydro-1H-inden-1-ol

(1S,2S)-4,6-dimethoxy-2-(4-methoxyphenyl)-2,3-dihydro-1H-inden-1-ol (PubChem CID 71027995) has the molecular formula C18H20O4 and a molecular weight of 300.35 g/mol. Its IUPAC name is (1S,2S)-4,6-dimethoxy-2-(4-methoxyphenyl)-2,3-dihydro-1H-inden-1-ol.

Molecular Properties

Compound Name(1S,2S)-4,6-dimethoxy-2-(4-methoxyphenyl)-2,3-dihydro-1H-inden-1-ol
PubChem CID71027995
Molecular FormulaC18H20O4
Molecular Weight300.35 g/mol
Exact Mass300.14
IUPAC Name(1S,2S)-4,6-dimethoxy-2-(4-methoxyphenyl)-2,3-dihydro-1H-inden-1-ol
SMILESCOc1ccc([C@@H]2Cc3c(OC)cc(OC)cc3[C@H]2O)cc1
InChIInChI=1S/C18H20O4/c1-20-12-6-4-11(5-7-12)14-10-15-16(18(14)19)8-13(21-2)9-17(15)22-3/h4-9,14,18-19H,10H2,1-3H3/t14-,18-/m0/s1
InChIKeyDNTBUVUPGZRJTC-KSSFIOAISA-N
XLogP3.09
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.35
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (4bR,8aR,9R)-3-methoxy-9-(4-methoxyphenyl)-4b,5,6,7,8,8a,9,10-octahydrophenanthrene-1-carboxylate
CID 59504340
1-bromo-4,6-dimethoxy-2,3-dihydro-1H-indene
CID 61384882
(3R)-2-(3,4-dimethoxyphenyl)-5,7-dimethoxy-3,4-dihydro-2H-chromen-3-ol
CID 102352404
(5S,6R)-6-(4-methoxyphenyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol
CID 10563844
(3R,4S)-3-(3,4-dimethoxyphenyl)-7-methoxy-3,4-dihydro-2H-chromen-4-ol
CID 100961451
(3R,4R)-3-(3,4-dimethoxyphenyl)-7-methoxy-3,4-dihydro-2H-chromen-4-ol
CID 100961450
1-methoxy-4-[2-(4-methoxyphenyl)cyclohexyl]benzene
CID 101244821
[(2R,3R)-5,7-dimethoxy-2-(4-methoxyphenyl)-3,4-dihydro-2H-chromen-3-yl] acetate
CID 102092506
(2R,3S,4R)-5,7-dimethoxy-2-(4-methoxyphenyl)-3,4-dihydro-2H-chromene-3,4-diol
CID 14080194
6,9-dimethoxy-4-(4-methoxyphenyl)-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[a]naphthalene
CID 66651952
trans-(1R,2S)-2-(2,5-dimethoxyphenyl)cyclohexan-1-ol
CID 6994758
(1S,2R)-2-(4-chlorophenyl)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-ol
CID 125482572

Frequently Asked Questions

What is the IUPAC name of (1S,2S)-4,6-dimethoxy-2-(4-methoxyphenyl)-2,3-dihydro-1H-inden-1-ol?
The IUPAC name of (1S,2S)-4,6-dimethoxy-2-(4-methoxyphenyl)-2,3-dihydro-1H-inden-1-ol (CID 71027995) is (1S,2S)-4,6-dimethoxy-2-(4-methoxyphenyl)-2,3-dihydro-1H-inden-1-ol.
What is the SMILES notation for (1S,2S)-4,6-dimethoxy-2-(4-methoxyphenyl)-2,3-dihydro-1H-inden-1-ol?
The canonical SMILES for (1S,2S)-4,6-dimethoxy-2-(4-methoxyphenyl)-2,3-dihydro-1H-inden-1-ol is COc1ccc([C@@H]2Cc3c(OC)cc(OC)cc3[C@H]2O)cc1.
What is the InChIKey of (1S,2S)-4,6-dimethoxy-2-(4-methoxyphenyl)-2,3-dihydro-1H-inden-1-ol?
The InChIKey is DNTBUVUPGZRJTC-KSSFIOAISA-N. The full InChI is InChI=1S/C18H20O4/c1-20-12-6-4-11(5-7-12)14-10-15-16(18(14)19)8-13(21-2)9-17(15)22-3/h4-9,14,18-19H,10H2,1-3H3/t14-,18-/m0/s1.
What are the key properties of (1S,2S)-4,6-dimethoxy-2-(4-methoxyphenyl)-2,3-dihydro-1H-inden-1-ol?
(1S,2S)-4,6-dimethoxy-2-(4-methoxyphenyl)-2,3-dihydro-1H-inden-1-ol has a molecular weight of 300.35 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S)-4,6-dimethoxy-2-(4-methoxyphenyl)-2,3-dihydro-1H-inden-1-ol is sourced from PubChem (CID 71027995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).