ethyl (2S,3R)-3-cyclohexyl-4-methylidene-2,3-dihydrochromene-2-carboxylate

C19H24O3 — CID 11289590

IUPACethyl (2S,3R)-3-cyclohexyl-4-methylidene-2,3-dihydrochromene-2-carboxylate
SMILESC=C1c2ccccc2O[C@H](C(=O)OCC)[C@@H]1C1CCCCC1
InChIInChI=1S/C19H24O3/c1-3-21-19(20)18-17(14-9-5-4-6-10-14)13(2)15-11-7-8-12-16(15)22-18/h7-8,11-12,14,17-18H,2-6,9-10H2,1H3/t17-,18-/m0/s1
InChIKeyQVTPQGYOOQNDHM-ROUUACIJSA-N
MW300.40 g/mol
LogP4.22
Rot. Bonds3

About ethyl (2S,3R)-3-cyclohexyl-4-methylidene-2,3-dihydrochromene-2-carboxylate

ethyl (2S,3R)-3-cyclohexyl-4-methylidene-2,3-dihydrochromene-2-carboxylate (PubChem CID 11289590) has the molecular formula C19H24O3 and a molecular weight of 300.40 g/mol. Its IUPAC name is ethyl (2S,3R)-3-cyclohexyl-4-methylidene-2,3-dihydrochromene-2-carboxylate.

Molecular Properties

Compound Nameethyl (2S,3R)-3-cyclohexyl-4-methylidene-2,3-dihydrochromene-2-carboxylate
PubChem CID11289590
Molecular FormulaC19H24O3
Molecular Weight300.40 g/mol
Exact Mass300.17
IUPAC Nameethyl (2S,3R)-3-cyclohexyl-4-methylidene-2,3-dihydrochromene-2-carboxylate
SMILESC=C1c2ccccc2O[C@H](C(=O)OCC)[C@@H]1C1CCCCC1
InChIInChI=1S/C19H24O3/c1-3-21-19(20)18-17(14-9-5-4-6-10-14)13(2)15-11-7-8-12-16(15)22-18/h7-8,11-12,14,17-18H,2-6,9-10H2,1H3/t17-,18-/m0/s1
InChIKeyQVTPQGYOOQNDHM-ROUUACIJSA-N
XLogP4.22
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of ethyl (2S,3R)-3-cyclohexyl-4-methylidene-2,3-dihydrochromene-2-carboxylate?
The IUPAC name of ethyl (2S,3R)-3-cyclohexyl-4-methylidene-2,3-dihydrochromene-2-carboxylate (CID 11289590) is ethyl (2S,3R)-3-cyclohexyl-4-methylidene-2,3-dihydrochromene-2-carboxylate.
What is the SMILES notation for ethyl (2S,3R)-3-cyclohexyl-4-methylidene-2,3-dihydrochromene-2-carboxylate?
The canonical SMILES for ethyl (2S,3R)-3-cyclohexyl-4-methylidene-2,3-dihydrochromene-2-carboxylate is C=C1c2ccccc2O[C@H](C(=O)OCC)[C@@H]1C1CCCCC1.
What is the InChIKey of ethyl (2S,3R)-3-cyclohexyl-4-methylidene-2,3-dihydrochromene-2-carboxylate?
The InChIKey is QVTPQGYOOQNDHM-ROUUACIJSA-N. The full InChI is InChI=1S/C19H24O3/c1-3-21-19(20)18-17(14-9-5-4-6-10-14)13(2)15-11-7-8-12-16(15)22-18/h7-8,11-12,14,17-18H,2-6,9-10H2,1H3/t17-,18-/m0/s1.
What are the key properties of ethyl (2S,3R)-3-cyclohexyl-4-methylidene-2,3-dihydrochromene-2-carboxylate?
ethyl (2S,3R)-3-cyclohexyl-4-methylidene-2,3-dihydrochromene-2-carboxylate has a molecular weight of 300.40 g/mol, XLogP of 4.22, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2S,3R)-3-cyclohexyl-4-methylidene-2,3-dihydrochromene-2-carboxylate is sourced from PubChem (CID 11289590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).