cyclohexylmethyl 3,4-dihydro-2H-chromene-3-carboxylate

C17H22O3 — CID 55429666

IUPACcyclohexylmethyl 3,4-dihydro-2H-chromene-3-carboxylate
SMILESO=C(OCC1CCCCC1)C1COc2ccccc2C1
InChIInChI=1S/C17H22O3/c18-17(20-11-13-6-2-1-3-7-13)15-10-14-8-4-5-9-16(14)19-12-15/h4-5,8-9,13,15H,1-3,6-7,10-12H2
InChIKeyGVUFKQSGZDEPDK-UHFFFAOYSA-N
MW274.36 g/mol
LogP3.36
Rot. Bonds3

About cyclohexylmethyl 3,4-dihydro-2H-chromene-3-carboxylate

cyclohexylmethyl 3,4-dihydro-2H-chromene-3-carboxylate (PubChem CID 55429666) has the molecular formula C17H22O3 and a molecular weight of 274.36 g/mol. Its IUPAC name is cyclohexylmethyl 3,4-dihydro-2H-chromene-3-carboxylate.

Molecular Properties

Compound Namecyclohexylmethyl 3,4-dihydro-2H-chromene-3-carboxylate
PubChem CID55429666
Molecular FormulaC17H22O3
Molecular Weight274.36 g/mol
Exact Mass274.16
IUPAC Namecyclohexylmethyl 3,4-dihydro-2H-chromene-3-carboxylate
SMILESO=C(OCC1CCCCC1)C1COc2ccccc2C1
InChIInChI=1S/C17H22O3/c18-17(20-11-13-6-2-1-3-7-13)15-10-14-8-4-5-9-16(14)19-12-15/h4-5,8-9,13,15H,1-3,6-7,10-12H2
InChIKeyGVUFKQSGZDEPDK-UHFFFAOYSA-N
XLogP3.36
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze cyclohexylmethyl 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

propyl 3,4-dihydro-2H-chromene-3-carboxylate
CID 60731106
(4,6-diamino-1,3,5-triazin-2-yl)methyl (3R)-3,4-dihydro-2H-chromene-3-carboxylate
CID 9381650
(2-cyanophenyl)methyl 3,4-dihydro-2H-chromene-3-carboxylate
CID 42920781
(3S)-3,4-dihydro-2H-chromene-3-carboxamide
CID 51885464
[1-(furan-2-ylmethyl)pyrrolidin-2-yl]methyl 3,4-dihydro-2H-chromene-3-carboxylate
CID 71907517
N-(cyclopropylmethyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 175826677
3,4-dihydro-2H-chromene-3-carboxylic acid
CID 162072408
[3-(trifluoromethyl)phenyl]methyl 3,4-dihydro-2H-chromene-3-carboxylate
CID 55441675
cyclohexylmethyl 9H-xanthene-9-carboxylate
CID 7716785
N-[(1R,2R)-2-hydroxycyclohexyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 104927114
N-[(3-aminocyclohexyl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 106123604
[2-oxo-2-[(1-phenylcyclobutyl)amino]ethyl] (3R)-3,4-dihydro-2H-chromene-3-carboxylate
CID 94870978

Frequently Asked Questions

What is the IUPAC name of cyclohexylmethyl 3,4-dihydro-2H-chromene-3-carboxylate?
The IUPAC name of cyclohexylmethyl 3,4-dihydro-2H-chromene-3-carboxylate (CID 55429666) is cyclohexylmethyl 3,4-dihydro-2H-chromene-3-carboxylate.
What is the SMILES notation for cyclohexylmethyl 3,4-dihydro-2H-chromene-3-carboxylate?
The canonical SMILES for cyclohexylmethyl 3,4-dihydro-2H-chromene-3-carboxylate is O=C(OCC1CCCCC1)C1COc2ccccc2C1.
What is the InChIKey of cyclohexylmethyl 3,4-dihydro-2H-chromene-3-carboxylate?
The InChIKey is GVUFKQSGZDEPDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22O3/c18-17(20-11-13-6-2-1-3-7-13)15-10-14-8-4-5-9-16(14)19-12-15/h4-5,8-9,13,15H,1-3,6-7,10-12H2.
What are the key properties of cyclohexylmethyl 3,4-dihydro-2H-chromene-3-carboxylate?
cyclohexylmethyl 3,4-dihydro-2H-chromene-3-carboxylate has a molecular weight of 274.36 g/mol, XLogP of 3.36, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexylmethyl 3,4-dihydro-2H-chromene-3-carboxylate is sourced from PubChem (CID 55429666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).