2-(3,4-dimethoxyphenyl)-1-(5-methoxy-2,2-dimethylchromen-6-yl)prop-2-en-1-ol

C23H26O5 — CID 122196167

IUPAC2-(3,4-dimethoxyphenyl)-1-(5-methoxy-2,2-dimethylchromen-6-yl)prop-2-en-1-ol
SMILESC=C(c1ccc(OC)c(OC)c1)C(O)c1ccc2c(c1OC)C=CC(C)(C)O2
InChIInChI=1S/C23H26O5/c1-14(15-7-9-19(25-4)20(13-15)26-5)21(24)17-8-10-18-16(22(17)27-6)11-12-23(2,3)28-18/h7-13,21,24H,1H2,2-6H3
InChIKeyTVGGJTYHZMMACC-UHFFFAOYSA-N
MW382.46 g/mol
LogP4.64
Rot. Bonds6

About 2-(3,4-dimethoxyphenyl)-1-(5-methoxy-2,2-dimethylchromen-6-yl)prop-2-en-1-ol

2-(3,4-dimethoxyphenyl)-1-(5-methoxy-2,2-dimethylchromen-6-yl)prop-2-en-1-ol (PubChem CID 122196167) has the molecular formula C23H26O5 and a molecular weight of 382.46 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-1-(5-methoxy-2,2-dimethylchromen-6-yl)prop-2-en-1-ol.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-1-(5-methoxy-2,2-dimethylchromen-6-yl)prop-2-en-1-ol
PubChem CID122196167
Molecular FormulaC23H26O5
Molecular Weight382.46 g/mol
Exact Mass382.18
IUPAC Name2-(3,4-dimethoxyphenyl)-1-(5-methoxy-2,2-dimethylchromen-6-yl)prop-2-en-1-ol
SMILESC=C(c1ccc(OC)c(OC)c1)C(O)c1ccc2c(c1OC)C=CC(C)(C)O2
InChIInChI=1S/C23H26O5/c1-14(15-7-9-19(25-4)20(13-15)26-5)21(24)17-8-10-18-16(22(17)27-6)11-12-23(2,3)28-18/h7-13,21,24H,1H2,2-6H3
InChIKeyTVGGJTYHZMMACC-UHFFFAOYSA-N
XLogP4.64
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2,2-dimethylchromen-6-yl) 3,4-dimethoxybenzoate
CID 89257218
(5-methoxy-2,2-dimethylchromen-8-yl)-(3,4,5-trimethoxyphenyl)methanol
CID 132850788
4-(3,4-dimethoxyphenoxy)-1-(5-methoxy-2,2-dimethylchromen-6-yl)but-2-yn-1-one
CID 11292723
1-(5-methoxy-2,2-dimethylchromen-6-yl)ethanone
CID 10879004
(E)-1-(3,4-dimethoxyphenyl)-3-(2,2-dimethylchromen-6-yl)prop-2-en-1-one
CID 118057441
8,9-dimethoxy-2,2-dimethylpyrano[2,3-c]phenanthridine
CID 10758120
1-(5,7-dimethoxy-2,2-dimethylchromen-6-yl)ethanone
CID 66573258
1-[1-(5-methoxy-2,2-dimethylchromen-6-yl)ethyl]imidazo[4,5-b]pyridine
CID 11267663
(5-methoxy-2,2-dimethylchromen-8-yl)-(3-methoxyphenyl)methanol
CID 132850786
(NE)-N-[(5,6-dimethoxy-1-benzofuran-2-yl)-(5-methoxy-2,2-dimethylchromen-6-yl)methylidene]hydroxylamine
CID 134146904
(NZ)-N-[(5,6-dimethoxy-1-benzofuran-2-yl)-(5-methoxy-2,2-dimethylchromen-6-yl)methylidene]hydroxylamine
CID 134151517
[2-(18F)fluoro-1-(3,4,5-trimethoxyphenyl)ethyl] 2,2-dimethylchromene-6-carboxylate
CID 11640268

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-1-(5-methoxy-2,2-dimethylchromen-6-yl)prop-2-en-1-ol?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-1-(5-methoxy-2,2-dimethylchromen-6-yl)prop-2-en-1-ol (CID 122196167) is 2-(3,4-dimethoxyphenyl)-1-(5-methoxy-2,2-dimethylchromen-6-yl)prop-2-en-1-ol.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-1-(5-methoxy-2,2-dimethylchromen-6-yl)prop-2-en-1-ol?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-1-(5-methoxy-2,2-dimethylchromen-6-yl)prop-2-en-1-ol is C=C(c1ccc(OC)c(OC)c1)C(O)c1ccc2c(c1OC)C=CC(C)(C)O2.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-1-(5-methoxy-2,2-dimethylchromen-6-yl)prop-2-en-1-ol?
The InChIKey is TVGGJTYHZMMACC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26O5/c1-14(15-7-9-19(25-4)20(13-15)26-5)21(24)17-8-10-18-16(22(17)27-6)11-12-23(2,3)28-18/h7-13,21,24H,1H2,2-6H3.
What are the key properties of 2-(3,4-dimethoxyphenyl)-1-(5-methoxy-2,2-dimethylchromen-6-yl)prop-2-en-1-ol?
2-(3,4-dimethoxyphenyl)-1-(5-methoxy-2,2-dimethylchromen-6-yl)prop-2-en-1-ol has a molecular weight of 382.46 g/mol, XLogP of 4.64, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-1-(5-methoxy-2,2-dimethylchromen-6-yl)prop-2-en-1-ol is sourced from PubChem (CID 122196167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).