3-(2,3,4-trimethoxy-1H-inden-1-yl)propan-1-ol

C15H20O4 — CID 157385865

IUPAC3-(2,3,4-trimethoxy-1H-inden-1-yl)propan-1-ol
SMILESCOC1=C(OC)C(CCCO)c2cccc(OC)c21
InChIInChI=1S/C15H20O4/c1-17-12-8-4-6-10-11(7-5-9-16)14(18-2)15(19-3)13(10)12/h4,6,8,11,16H,5,7,9H2,1-3H3
InChIKeyMBLLSQSKUXXFNQ-UHFFFAOYSA-N
MW264.32 g/mol
LogP2.53
Rot. Bonds6

About 3-(2,3,4-trimethoxy-1H-inden-1-yl)propan-1-ol

3-(2,3,4-trimethoxy-1H-inden-1-yl)propan-1-ol (PubChem CID 157385865) has the molecular formula C15H20O4 and a molecular weight of 264.32 g/mol. Its IUPAC name is 3-(2,3,4-trimethoxy-1H-inden-1-yl)propan-1-ol.

Molecular Properties

Compound Name3-(2,3,4-trimethoxy-1H-inden-1-yl)propan-1-ol
PubChem CID157385865
Molecular FormulaC15H20O4
Molecular Weight264.32 g/mol
Exact Mass264.14
IUPAC Name3-(2,3,4-trimethoxy-1H-inden-1-yl)propan-1-ol
SMILESCOC1=C(OC)C(CCCO)c2cccc(OC)c21
InChIInChI=1S/C15H20O4/c1-17-12-8-4-6-10-11(7-5-9-16)14(18-2)15(19-3)13(10)12/h4,6,8,11,16H,5,7,9H2,1-3H3
InChIKeyMBLLSQSKUXXFNQ-UHFFFAOYSA-N
XLogP2.53
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,3,4-trimethoxy-1-[5-(2,3,4-trimethoxy-1H-inden-1-yl)pentyl]-1H-indene
CID 151740350
2,3,4-trimethoxy-1-prop-2-enyl-1H-indene
CID 150936006
[3-(2,6-dimethoxyphenyl)-1H-inden-1-yl]methanol
CID 132518631
(5-methoxy-3,4-dimethyl-9H-fluoren-9-yl)methanamine
CID 82579412
[(1R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]methanol
CID 10535755
2-[2-amino-3-(2,6-dimethoxyphenyl)phenyl]ethanol
CID 154291295
2-[(2,6-dimethoxyphenyl)methylamino]ethanol
CID 82673406
3-[[2,3-bis(2-methoxyphenyl)phenyl]methylamino]propan-1-ol
CID 67427814
(2-methoxy-6-sulfanylphenyl)methanol
CID 130129836
4-(2-methoxyphenoxy)butan-1-ol
CID 43510003
3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)propan-1-ol
CID 12684874
5-[(2,3-dimethoxyphenyl)methylamino]pentan-1-ol
CID 17206697

Frequently Asked Questions

What is the IUPAC name of 3-(2,3,4-trimethoxy-1H-inden-1-yl)propan-1-ol?
The IUPAC name of 3-(2,3,4-trimethoxy-1H-inden-1-yl)propan-1-ol (CID 157385865) is 3-(2,3,4-trimethoxy-1H-inden-1-yl)propan-1-ol.
What is the SMILES notation for 3-(2,3,4-trimethoxy-1H-inden-1-yl)propan-1-ol?
The canonical SMILES for 3-(2,3,4-trimethoxy-1H-inden-1-yl)propan-1-ol is COC1=C(OC)C(CCCO)c2cccc(OC)c21.
What is the InChIKey of 3-(2,3,4-trimethoxy-1H-inden-1-yl)propan-1-ol?
The InChIKey is MBLLSQSKUXXFNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O4/c1-17-12-8-4-6-10-11(7-5-9-16)14(18-2)15(19-3)13(10)12/h4,6,8,11,16H,5,7,9H2,1-3H3.
What are the key properties of 3-(2,3,4-trimethoxy-1H-inden-1-yl)propan-1-ol?
3-(2,3,4-trimethoxy-1H-inden-1-yl)propan-1-ol has a molecular weight of 264.32 g/mol, XLogP of 2.53, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3,4-trimethoxy-1H-inden-1-yl)propan-1-ol is sourced from PubChem (CID 157385865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).