ethyl 7,8-dimethoxy-3,4-dihydro-2H-chromene-3-carboxylate

C14H18O5 — CID 170902617

IUPACethyl 7,8-dimethoxy-3,4-dihydro-2H-chromene-3-carboxylate
SMILESCCOC(=O)C1COc2c(ccc(OC)c2OC)C1
InChIInChI=1S/C14H18O5/c1-4-18-14(15)10-7-9-5-6-11(16-2)13(17-3)12(9)19-8-10/h5-6,10H,4,7-8H2,1-3H3
InChIKeyHLLZPDIHLHEGSC-UHFFFAOYSA-N
MW266.29 g/mol
LogP1.82
Rot. Bonds4

About ethyl 7,8-dimethoxy-3,4-dihydro-2H-chromene-3-carboxylate

ethyl 7,8-dimethoxy-3,4-dihydro-2H-chromene-3-carboxylate (PubChem CID 170902617) has the molecular formula C14H18O5 and a molecular weight of 266.29 g/mol. Its IUPAC name is ethyl 7,8-dimethoxy-3,4-dihydro-2H-chromene-3-carboxylate.

Molecular Properties

Compound Nameethyl 7,8-dimethoxy-3,4-dihydro-2H-chromene-3-carboxylate
PubChem CID170902617
Molecular FormulaC14H18O5
Molecular Weight266.29 g/mol
Exact Mass266.12
IUPAC Nameethyl 7,8-dimethoxy-3,4-dihydro-2H-chromene-3-carboxylate
SMILESCCOC(=O)C1COc2c(ccc(OC)c2OC)C1
InChIInChI=1S/C14H18O5/c1-4-18-14(15)10-7-9-5-6-11(16-2)13(17-3)12(9)19-8-10/h5-6,10H,4,7-8H2,1-3H3
InChIKeyHLLZPDIHLHEGSC-UHFFFAOYSA-N
XLogP1.82
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.29
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl 7,8-dimethoxy-3,4-dihydro-2H-chromene-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 8-methyl-3,4-dihydro-2H-chromene-3-carboxylate
CID 170903881
ethyl (3S)-7-methoxy-3,4-dihydro-2H-chromene-3-carboxylate
CID 86334083
ethyl 6-chloro-8-methyl-3,4-dihydro-2H-chromene-3-carboxylate
CID 170902591
ethyl (3S)-6,8-dichloro-3,4-dihydro-2H-chromene-3-carboxylate
CID 86334082
4-[(3R)-7,8-dimethoxy-3,4-dihydro-2H-chromen-3-yl]phenol
CID 124578570
ethyl 6-chloro-3,4-dihydro-2H-chromene-3-carboxylate
CID 53408410
(3R)-8-methoxy-3,4-dihydro-2H-chromene-3-carboxylic acid
CID 7023638
ethyl 1-[N'-methyl-N-[(2,3,4-trimethoxyphenyl)methyl]carbamimidoyl]piperidine-4-carboxylate
CID 111157750
ethyl 3-(5-methoxy-2,3-dihydro-1,4-benzodioxin-8-yl)cyclohex-3-ene-1-carboxylate
CID 91665568
ethyl (2S)-1-[(2,3,4-trimethoxyphenyl)methyl]piperidin-1-ium-2-carboxylate
CID 6944035
(3S)-3-(2-hydroxy-3,4-dimethoxyphenyl)-8-methoxy-3,4-dihydro-2H-chromen-7-ol
CID 163043371
ethyl (2R)-7-methoxy-1,2,3,4-tetrahydronaphthalene-2-carboxylate
CID 129389823

Frequently Asked Questions

What is the IUPAC name of ethyl 7,8-dimethoxy-3,4-dihydro-2H-chromene-3-carboxylate?
The IUPAC name of ethyl 7,8-dimethoxy-3,4-dihydro-2H-chromene-3-carboxylate (CID 170902617) is ethyl 7,8-dimethoxy-3,4-dihydro-2H-chromene-3-carboxylate.
What is the SMILES notation for ethyl 7,8-dimethoxy-3,4-dihydro-2H-chromene-3-carboxylate?
The canonical SMILES for ethyl 7,8-dimethoxy-3,4-dihydro-2H-chromene-3-carboxylate is CCOC(=O)C1COc2c(ccc(OC)c2OC)C1.
What is the InChIKey of ethyl 7,8-dimethoxy-3,4-dihydro-2H-chromene-3-carboxylate?
The InChIKey is HLLZPDIHLHEGSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O5/c1-4-18-14(15)10-7-9-5-6-11(16-2)13(17-3)12(9)19-8-10/h5-6,10H,4,7-8H2,1-3H3.
What are the key properties of ethyl 7,8-dimethoxy-3,4-dihydro-2H-chromene-3-carboxylate?
ethyl 7,8-dimethoxy-3,4-dihydro-2H-chromene-3-carboxylate has a molecular weight of 266.29 g/mol, XLogP of 1.82, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7,8-dimethoxy-3,4-dihydro-2H-chromene-3-carboxylate is sourced from PubChem (CID 170902617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).