2,3-dimethoxy-6-(7-methoxy-3,4-dihydro-2H-chromen-3-yl)phenol

C18H20O5 — CID 5319689

IUPAC2,3-dimethoxy-6-(7-methoxy-3,4-dihydro-2H-chromen-3-yl)phenol
SMILESCOc1ccc2c(c1)OCC(c1ccc(OC)c(OC)c1O)C2
InChIInChI=1S/C18H20O5/c1-20-13-5-4-11-8-12(10-23-16(11)9-13)14-6-7-15(21-2)18(22-3)17(14)19/h4-7,9,12,19H,8,10H2,1-3H3
InChIKeyBLHQCBJSTMDZQA-UHFFFAOYSA-N
MW316.35 g/mol
LogP3.14
Rot. Bonds4

About 2,3-dimethoxy-6-(7-methoxy-3,4-dihydro-2H-chromen-3-yl)phenol

2,3-dimethoxy-6-(7-methoxy-3,4-dihydro-2H-chromen-3-yl)phenol (PubChem CID 5319689) has the molecular formula C18H20O5 and a molecular weight of 316.35 g/mol. Its IUPAC name is 2,3-dimethoxy-6-(7-methoxy-3,4-dihydro-2H-chromen-3-yl)phenol.

Molecular Properties

Compound Name2,3-dimethoxy-6-(7-methoxy-3,4-dihydro-2H-chromen-3-yl)phenol
PubChem CID5319689
Molecular FormulaC18H20O5
Molecular Weight316.35 g/mol
Exact Mass316.13
IUPAC Name2,3-dimethoxy-6-(7-methoxy-3,4-dihydro-2H-chromen-3-yl)phenol
SMILESCOc1ccc2c(c1)OCC(c1ccc(OC)c(OC)c1O)C2
InChIInChI=1S/C18H20O5/c1-20-13-5-4-11-8-12(10-23-16(11)9-13)14-6-7-15(21-2)18(22-3)17(14)19/h4-7,9,12,19H,8,10H2,1-3H3
InChIKeyBLHQCBJSTMDZQA-UHFFFAOYSA-N
XLogP3.14
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.35
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-3-(2-hydroxy-3,4-dimethoxyphenyl)-8-methoxy-3,4-dihydro-2H-chromen-7-ol
CID 163043371
3-(4-hydroxy-2-methoxyphenyl)-3,4-dihydro-2H-chromen-7-ol
CID 591830
(2S,3R,4S,5S,6R)-2-[[(3R)-3-[3,4-dimethoxy-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-3,4-dihydro-2H-chromen-7-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 15689653
3-(7-hydroxy-8-methoxy-3,4-dihydro-2H-chromen-3-yl)-6-methoxybenzene-1,2-diol
CID 5326313
(3S,4R)-4-[4-hydroxy-5-(7-hydroxy-3,4-dihydro-2H-chromen-3-yl)-2-methoxyphenyl]-3-(2-hydroxy-4-methoxyphenyl)-3,4-dihydro-2H-chromen-7-ol
CID 118983375
7-methoxy-3-(4-methoxyphenyl)-3,4-dihydro-2H-chromen-8-ol
CID 42604484
3-(3,4-dimethoxyphenyl)-3,4-dihydro-2H-chromen-7-ol
CID 42604621
(2S,3S,4S,5R,6S)-6-[2,6-dimethoxy-3-[(3S)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-chromen-3-yl]phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
CID 163023777
7-hydroxy-3-(2-hydroxy-3,4-dimethoxyphenyl)-2,3-dihydrochromen-4-one
CID 24796965
6-methoxy-2,3-dihydro-1-benzofuran-3-ol
CID 63096800
(3S)-8-methoxy-3-(2,4,5-trimethoxyphenyl)-3,4-dihydro-2H-chromen-7-ol
CID 70252444
3-(2-hydroxy-3,4-dimethoxyphenyl)-3,4-dihydro-2H-chromen-2-ol
CID 175983672

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethoxy-6-(7-methoxy-3,4-dihydro-2H-chromen-3-yl)phenol?
The IUPAC name of 2,3-dimethoxy-6-(7-methoxy-3,4-dihydro-2H-chromen-3-yl)phenol (CID 5319689) is 2,3-dimethoxy-6-(7-methoxy-3,4-dihydro-2H-chromen-3-yl)phenol.
What is the SMILES notation for 2,3-dimethoxy-6-(7-methoxy-3,4-dihydro-2H-chromen-3-yl)phenol?
The canonical SMILES for 2,3-dimethoxy-6-(7-methoxy-3,4-dihydro-2H-chromen-3-yl)phenol is COc1ccc2c(c1)OCC(c1ccc(OC)c(OC)c1O)C2.
What is the InChIKey of 2,3-dimethoxy-6-(7-methoxy-3,4-dihydro-2H-chromen-3-yl)phenol?
The InChIKey is BLHQCBJSTMDZQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O5/c1-20-13-5-4-11-8-12(10-23-16(11)9-13)14-6-7-15(21-2)18(22-3)17(14)19/h4-7,9,12,19H,8,10H2,1-3H3.
What are the key properties of 2,3-dimethoxy-6-(7-methoxy-3,4-dihydro-2H-chromen-3-yl)phenol?
2,3-dimethoxy-6-(7-methoxy-3,4-dihydro-2H-chromen-3-yl)phenol has a molecular weight of 316.35 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethoxy-6-(7-methoxy-3,4-dihydro-2H-chromen-3-yl)phenol is sourced from PubChem (CID 5319689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).