4-methyl-4aH-benzo[c]chromene

C14H12O — CID 19702179

IUPAC4-methyl-4aH-benzo[c]chromene
SMILESCC1=CC=CC2=c3ccccc3=COC12
InChIInChI=1S/C14H12O/c1-10-5-4-8-13-12-7-3-2-6-11(12)9-15-14(10)13/h2-9,14H,1H3
InChIKeyROWAEGCKEPRSTA-UHFFFAOYSA-N
MW196.25 g/mol
LogP1.49
Rot. Bonds

About 4-methyl-4aH-benzo[c]chromene

4-methyl-4aH-benzo[c]chromene (PubChem CID 19702179) has the molecular formula C14H12O and a molecular weight of 196.25 g/mol. Its IUPAC name is 4-methyl-4aH-benzo[c]chromene.

Molecular Properties

Compound Name4-methyl-4aH-benzo[c]chromene
PubChem CID19702179
Molecular FormulaC14H12O
Molecular Weight196.25 g/mol
Exact Mass196.09
IUPAC Name4-methyl-4aH-benzo[c]chromene
SMILESCC1=CC=CC2=c3ccccc3=COC12
InChIInChI=1S/C14H12O/c1-10-5-4-8-13-12-7-3-2-6-11(12)9-15-14(10)13/h2-9,14H,1H3
InChIKeyROWAEGCKEPRSTA-UHFFFAOYSA-N
XLogP1.49
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-4aH-benzo[c]chromene?
The IUPAC name of 4-methyl-4aH-benzo[c]chromene (CID 19702179) is 4-methyl-4aH-benzo[c]chromene.
What is the SMILES notation for 4-methyl-4aH-benzo[c]chromene?
The canonical SMILES for 4-methyl-4aH-benzo[c]chromene is CC1=CC=CC2=c3ccccc3=COC12.
What is the InChIKey of 4-methyl-4aH-benzo[c]chromene?
The InChIKey is ROWAEGCKEPRSTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O/c1-10-5-4-8-13-12-7-3-2-6-11(12)9-15-14(10)13/h2-9,14H,1H3.
What are the key properties of 4-methyl-4aH-benzo[c]chromene?
4-methyl-4aH-benzo[c]chromene has a molecular weight of 196.25 g/mol, XLogP of 1.49, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-4aH-benzo[c]chromene is sourced from PubChem (CID 19702179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).