3-pentan-2-yl-3,4-dihydro-2H-chromene

C14H20O — CID 139513640

IUPAC3-pentan-2-yl-3,4-dihydro-2H-chromene
SMILESCCCC(C)C1COc2ccccc2C1
InChIInChI=1S/C14H20O/c1-3-6-11(2)13-9-12-7-4-5-8-14(12)15-10-13/h4-5,7-8,11,13H,3,6,9-10H2,1-2H3
InChIKeyYNKMYOSBYVZXCN-UHFFFAOYSA-N
MW204.31 g/mol
LogP3.67
Rot. Bonds3

About 3-pentan-2-yl-3,4-dihydro-2H-chromene

3-pentan-2-yl-3,4-dihydro-2H-chromene (PubChem CID 139513640) has the molecular formula C14H20O and a molecular weight of 204.31 g/mol. Its IUPAC name is 3-pentan-2-yl-3,4-dihydro-2H-chromene.

Molecular Properties

Compound Name3-pentan-2-yl-3,4-dihydro-2H-chromene
PubChem CID139513640
Molecular FormulaC14H20O
Molecular Weight204.31 g/mol
Exact Mass204.15
IUPAC Name3-pentan-2-yl-3,4-dihydro-2H-chromene
SMILESCCCC(C)C1COc2ccccc2C1
InChIInChI=1S/C14H20O/c1-3-6-11(2)13-9-12-7-4-5-8-14(12)15-10-13/h4-5,7-8,11,13H,3,6,9-10H2,1-2H3
InChIKeyYNKMYOSBYVZXCN-UHFFFAOYSA-N
XLogP3.67
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.31
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 3-pentan-2-yl-3,4-dihydro-2H-chromene 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

1-(3,4-dihydro-2H-chromen-3-yl)-2-methylbutan-1-ol
CID 79446324
1-(3,4-dihydro-2H-chromen-3-yl)hexylhydrazine
CID 105234038
1-(3,4-dihydro-2H-chromen-3-yl)nonylhydrazine
CID 105233938
1-(3,4-dihydro-2H-chromen-3-yl)-4-methyl-N-propylpentan-1-amine
CID 65411094
1-(3,4-dihydro-2H-chromen-3-yl)-N-propylheptan-1-amine
CID 65411679
1-(3,4-dihydro-2H-chromen-3-yl)-N-ethyl-5-methylhexan-1-amine
CID 83161048
1-(3,4-dihydro-2H-chromen-3-yl)-2-methyl-N-propylprop-2-en-1-amine
CID 79177519
1-(3,4-dihydro-2H-chromen-3-yl)-N-ethyl-2-methylprop-2-en-1-amine
CID 79180444
1-(3,4-dihydro-2H-chromen-3-yl)-N-ethyl-2-phenylethanamine
CID 65410502
1-(3,4-dihydro-2H-chromen-3-yl)-N-ethylbut-3-en-1-amine
CID 65412063
1-(3,4-dihydro-2H-chromen-3-yl)-N-ethylpent-3-yn-1-amine
CID 65410110
1-(3,4-dihydro-2H-chromen-3-yl)-3-methylbut-3-en-1-amine
CID 79186066

Frequently Asked Questions

What is the IUPAC name of 3-pentan-2-yl-3,4-dihydro-2H-chromene?
The IUPAC name of 3-pentan-2-yl-3,4-dihydro-2H-chromene (CID 139513640) is 3-pentan-2-yl-3,4-dihydro-2H-chromene.
What is the SMILES notation for 3-pentan-2-yl-3,4-dihydro-2H-chromene?
The canonical SMILES for 3-pentan-2-yl-3,4-dihydro-2H-chromene is CCCC(C)C1COc2ccccc2C1.
What is the InChIKey of 3-pentan-2-yl-3,4-dihydro-2H-chromene?
The InChIKey is YNKMYOSBYVZXCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O/c1-3-6-11(2)13-9-12-7-4-5-8-14(12)15-10-13/h4-5,7-8,11,13H,3,6,9-10H2,1-2H3.
What are the key properties of 3-pentan-2-yl-3,4-dihydro-2H-chromene?
3-pentan-2-yl-3,4-dihydro-2H-chromene has a molecular weight of 204.31 g/mol, XLogP of 3.67, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pentan-2-yl-3,4-dihydro-2H-chromene is sourced from PubChem (CID 139513640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).