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

C12H18O — CID 70268115

IUPAC4-propan-2-yl-3,4,7,8-tetrahydro-2H-chromene
SMILESCC(C)C1CCOC2=C1C=CCC2
InChIInChI=1S/C12H18O/c1-9(2)10-7-8-13-12-6-4-3-5-11(10)12/h3,5,9-10H,4,6-8H2,1-2H3
InChIKeyKFAHCOZGVRXWNS-UHFFFAOYSA-N
MW178.28 g/mol
LogP3.28
Rot. Bonds1

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

4-propan-2-yl-3,4,7,8-tetrahydro-2H-chromene (PubChem CID 70268115) has the molecular formula C12H18O and a molecular weight of 178.28 g/mol. Its IUPAC name is 4-propan-2-yl-3,4,7,8-tetrahydro-2H-chromene.

Molecular Properties

Compound Name4-propan-2-yl-3,4,7,8-tetrahydro-2H-chromene
PubChem CID70268115
Molecular FormulaC12H18O
Molecular Weight178.28 g/mol
Exact Mass178.14
IUPAC Name4-propan-2-yl-3,4,7,8-tetrahydro-2H-chromene
SMILESCC(C)C1CCOC2=C1C=CCC2
InChIInChI=1S/C12H18O/c1-9(2)10-7-8-13-12-6-4-3-5-11(10)12/h3,5,9-10H,4,6-8H2,1-2H3
InChIKeyKFAHCOZGVRXWNS-UHFFFAOYSA-N
XLogP3.28
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 4-propan-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

Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-3,4,7,8-tetrahydro-2H-chromene?
The IUPAC name of 4-propan-2-yl-3,4,7,8-tetrahydro-2H-chromene (CID 70268115) is 4-propan-2-yl-3,4,7,8-tetrahydro-2H-chromene.
What is the SMILES notation for 4-propan-2-yl-3,4,7,8-tetrahydro-2H-chromene?
The canonical SMILES for 4-propan-2-yl-3,4,7,8-tetrahydro-2H-chromene is CC(C)C1CCOC2=C1C=CCC2.
What is the InChIKey of 4-propan-2-yl-3,4,7,8-tetrahydro-2H-chromene?
The InChIKey is KFAHCOZGVRXWNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O/c1-9(2)10-7-8-13-12-6-4-3-5-11(10)12/h3,5,9-10H,4,6-8H2,1-2H3.
What are the key properties of 4-propan-2-yl-3,4,7,8-tetrahydro-2H-chromene?
4-propan-2-yl-3,4,7,8-tetrahydro-2H-chromene has a molecular weight of 178.28 g/mol, XLogP of 3.28, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-3,4,7,8-tetrahydro-2H-chromene is sourced from PubChem (CID 70268115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).