4-butan-2-yl-3,4,7,8-tetrahydro-2H-chromene

C13H20O — CID 89060480

IUPAC4-butan-2-yl-3,4,7,8-tetrahydro-2H-chromene
SMILESCCC(C)C1CCOC2=C1C=CCC2
InChIInChI=1S/C13H20O/c1-3-10(2)11-8-9-14-13-7-5-4-6-12(11)13/h4,6,10-11H,3,5,7-9H2,1-2H3
InChIKeyXSBLUGHYQYLPAS-UHFFFAOYSA-N
MW192.30 g/mol
LogP3.67
Rot. Bonds2

About 4-butan-2-yl-3,4,7,8-tetrahydro-2H-chromene

4-butan-2-yl-3,4,7,8-tetrahydro-2H-chromene (PubChem CID 89060480) has the molecular formula C13H20O and a molecular weight of 192.30 g/mol. Its IUPAC name is 4-butan-2-yl-3,4,7,8-tetrahydro-2H-chromene.

Molecular Properties

Compound Name4-butan-2-yl-3,4,7,8-tetrahydro-2H-chromene
PubChem CID89060480
Molecular FormulaC13H20O
Molecular Weight192.30 g/mol
Exact Mass192.15
IUPAC Name4-butan-2-yl-3,4,7,8-tetrahydro-2H-chromene
SMILESCCC(C)C1CCOC2=C1C=CCC2
InChIInChI=1S/C13H20O/c1-3-10(2)11-8-9-14-13-7-5-4-6-12(11)13/h4,6,10-11H,3,5,7-9H2,1-2H3
InChIKeyXSBLUGHYQYLPAS-UHFFFAOYSA-N
XLogP3.67
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.30
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 4-butan-2-yl-3,4,7,8-tetrahydro-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

Tetrahydro-4h-chromene
CID 18678319
8-Oxatricyclo[10.4.0.02,7]hexadeca-4,6,9,13,15-pentaene
CID 123166540
Tetrahydro-8-methyl-2h-chromene
CID 129886208
4-Ethyl-1-[(5-fluorocyclohex-3-en-1-yl)methoxy]cyclohexene
CID 141859990
1-Methoxy-5-methyl-3-methylenecyclohexene
CID 144366
1-Propan-2-yl-4-propan-2-yloxycyclohexa-1,3-diene
CID 13411472
5-Methoxy-1,2,3,4,4a,8a-hexahydronaphthalene
CID 20027000
1-Ethoxy-5-methylcyclohexene
CID 22400895
2-methyl-3,4,4a,5-tetrahydro-2H-chromene
CID 22995355
6-Methoxy-1,2,3,7,8,8a-hexahydronaphthalene
CID 54002746
8,8-Dimethyl-1,6,7,8a-tetrahydroisochromene
CID 57077631
3-Ethoxy-1,2,4a,8a-tetrahydronaphthalene
CID 57127371

Frequently Asked Questions

What is the IUPAC name of 4-butan-2-yl-3,4,7,8-tetrahydro-2H-chromene?
The IUPAC name of 4-butan-2-yl-3,4,7,8-tetrahydro-2H-chromene (CID 89060480) is 4-butan-2-yl-3,4,7,8-tetrahydro-2H-chromene.
What is the SMILES notation for 4-butan-2-yl-3,4,7,8-tetrahydro-2H-chromene?
The canonical SMILES for 4-butan-2-yl-3,4,7,8-tetrahydro-2H-chromene is CCC(C)C1CCOC2=C1C=CCC2.
What is the InChIKey of 4-butan-2-yl-3,4,7,8-tetrahydro-2H-chromene?
The InChIKey is XSBLUGHYQYLPAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O/c1-3-10(2)11-8-9-14-13-7-5-4-6-12(11)13/h4,6,10-11H,3,5,7-9H2,1-2H3.
What are the key properties of 4-butan-2-yl-3,4,7,8-tetrahydro-2H-chromene?
4-butan-2-yl-3,4,7,8-tetrahydro-2H-chromene has a molecular weight of 192.30 g/mol, XLogP of 3.67, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butan-2-yl-3,4,7,8-tetrahydro-2H-chromene is sourced from PubChem (CID 89060480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).