(2-methoxycyclohexyl) 6-ethoxy-3,4-dihydro-2H-chromene-3-carboxylate

C19H26O5 — CID 86896284

IUPAC(2-methoxycyclohexyl) 6-ethoxy-3,4-dihydro-2H-chromene-3-carboxylate
SMILESCCOc1ccc2c(c1)CC(C(=O)OC1CCCCC1OC)CO2
InChIInChI=1S/C19H26O5/c1-3-22-15-8-9-16-13(11-15)10-14(12-23-16)19(20)24-18-7-5-4-6-17(18)21-2/h8-9,11,14,17-18H,3-7,10,12H2,1-2H3
InChIKeyWEVANQBYLBGZQG-UHFFFAOYSA-N
MW334.41 g/mol
LogP3.14
Rot. Bonds5

About (2-methoxycyclohexyl) 6-ethoxy-3,4-dihydro-2H-chromene-3-carboxylate

(2-methoxycyclohexyl) 6-ethoxy-3,4-dihydro-2H-chromene-3-carboxylate (PubChem CID 86896284) has the molecular formula C19H26O5 and a molecular weight of 334.41 g/mol. Its IUPAC name is (2-methoxycyclohexyl) 6-ethoxy-3,4-dihydro-2H-chromene-3-carboxylate.

Molecular Properties

Compound Name(2-methoxycyclohexyl) 6-ethoxy-3,4-dihydro-2H-chromene-3-carboxylate
PubChem CID86896284
Molecular FormulaC19H26O5
Molecular Weight334.41 g/mol
Exact Mass334.18
IUPAC Name(2-methoxycyclohexyl) 6-ethoxy-3,4-dihydro-2H-chromene-3-carboxylate
SMILESCCOc1ccc2c(c1)CC(C(=O)OC1CCCCC1OC)CO2
InChIInChI=1S/C19H26O5/c1-3-22-15-8-9-16-13(11-15)10-14(12-23-16)19(20)24-18-7-5-4-6-17(18)21-2/h8-9,11,14,17-18H,3-7,10,12H2,1-2H3
InChIKeyWEVANQBYLBGZQG-UHFFFAOYSA-N
XLogP3.14
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.41
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(3-methylphenyl) 6-ethoxy-3,4-dihydro-2H-chromene-3-carboxylate
CID 86896181
2-[(6-ethoxy-3,4-dihydro-2H-chromene-3-carbonyl)-methylamino]acetic acid
CID 119172257
2-thiophen-2-ylethyl 6-ethoxy-3,4-dihydro-2H-chromene-3-carboxylate
CID 86897194
6-ethoxy-N-[2-(methylamino)propyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 120831058
(6-ethoxy-3,4-dihydro-2H-chromen-3-yl)-[3-(phenoxymethyl)piperidin-1-yl]methanone
CID 86971149
[2-(4-ethoxyphenyl)-2-oxoethyl] (3S)-6-chloro-3,4-dihydro-2H-chromene-3-carboxylate
CID 8645373
6-ethoxy-N-[2-(4-methylphenyl)ethyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 86962053
(3S)-6-methoxy-3,4-dihydro-2H-chromene-3-carboxylic acid
CID 7061285
4-(6-ethoxy-3,4-dihydro-2H-chromene-3-carbonyl)morpholine-2-carboxylic acid
CID 119239598
N-(2-benzamidophenyl)-6-ethoxy-3,4-dihydro-2H-chromene-3-carboxamide
CID 86896297
6-ethoxy-N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 86897008
(6-ethoxy-3,4-dihydro-2H-chromen-3-yl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone
CID 120996999

Frequently Asked Questions

What is the IUPAC name of (2-methoxycyclohexyl) 6-ethoxy-3,4-dihydro-2H-chromene-3-carboxylate?
The IUPAC name of (2-methoxycyclohexyl) 6-ethoxy-3,4-dihydro-2H-chromene-3-carboxylate (CID 86896284) is (2-methoxycyclohexyl) 6-ethoxy-3,4-dihydro-2H-chromene-3-carboxylate.
What is the SMILES notation for (2-methoxycyclohexyl) 6-ethoxy-3,4-dihydro-2H-chromene-3-carboxylate?
The canonical SMILES for (2-methoxycyclohexyl) 6-ethoxy-3,4-dihydro-2H-chromene-3-carboxylate is CCOc1ccc2c(c1)CC(C(=O)OC1CCCCC1OC)CO2.
What is the InChIKey of (2-methoxycyclohexyl) 6-ethoxy-3,4-dihydro-2H-chromene-3-carboxylate?
The InChIKey is WEVANQBYLBGZQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26O5/c1-3-22-15-8-9-16-13(11-15)10-14(12-23-16)19(20)24-18-7-5-4-6-17(18)21-2/h8-9,11,14,17-18H,3-7,10,12H2,1-2H3.
What are the key properties of (2-methoxycyclohexyl) 6-ethoxy-3,4-dihydro-2H-chromene-3-carboxylate?
(2-methoxycyclohexyl) 6-ethoxy-3,4-dihydro-2H-chromene-3-carboxylate has a molecular weight of 334.41 g/mol, XLogP of 3.14, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxycyclohexyl) 6-ethoxy-3,4-dihydro-2H-chromene-3-carboxylate is sourced from PubChem (CID 86896284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).