1-(7-methyl-3,4,7,8-tetrahydro-2H-chromen-6-yl)ethanone

C12H16O2 — CID 15315367

IUPAC1-(7-methyl-3,4,7,8-tetrahydro-2H-chromen-6-yl)ethanone
SMILESCC(=O)C1=CC2=C(CC1C)OCCC2
InChIInChI=1S/C12H16O2/c1-8-6-12-10(4-3-5-14-12)7-11(8)9(2)13/h7-8H,3-6H2,1-2H3
InChIKeyPVVJAEXKTFRISL-UHFFFAOYSA-N
MW192.26 g/mol
LogP2.61
Rot. Bonds1

About 1-(7-methyl-3,4,7,8-tetrahydro-2H-chromen-6-yl)ethanone

1-(7-methyl-3,4,7,8-tetrahydro-2H-chromen-6-yl)ethanone (PubChem CID 15315367) has the molecular formula C12H16O2 and a molecular weight of 192.26 g/mol. Its IUPAC name is 1-(7-methyl-3,4,7,8-tetrahydro-2H-chromen-6-yl)ethanone.

Molecular Properties

Compound Name1-(7-methyl-3,4,7,8-tetrahydro-2H-chromen-6-yl)ethanone
PubChem CID15315367
Molecular FormulaC12H16O2
Molecular Weight192.26 g/mol
Exact Mass192.12
IUPAC Name1-(7-methyl-3,4,7,8-tetrahydro-2H-chromen-6-yl)ethanone
SMILESCC(=O)C1=CC2=C(CC1C)OCCC2
InChIInChI=1S/C12H16O2/c1-8-6-12-10(4-3-5-14-12)7-11(8)9(2)13/h7-8H,3-6H2,1-2H3
InChIKeyPVVJAEXKTFRISL-UHFFFAOYSA-N
XLogP2.61
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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2-Cyclohexen-1-one, 3-ethoxy-5-methyl-
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3-Butoxy-5,5-dimethylcyclohex-2-en-1-one
CID 14744248
5,5-Dimethyl-3-propoxycyclohex-2-en-1-one
CID 57184791
5-Oxotetrahydrochromene
CID 90110523
4-Acetyl-1-ethoxycyclohexene
CID 130029165
3-Ethoxy-6-(2-methylpropyl)cyclohex-2-en-1-one
CID 10241790
2-Cyclohexen-1-one, 3-ethoxy-6-propyl-
CID 10352328
3-Ethoxy-6-propan-2-ylcyclohex-2-en-1-one
CID 10375079
2-Cyclohexen-1-one, 3-ethoxy-6-ethyl-
CID 20263857

Frequently Asked Questions

What is the IUPAC name of 1-(7-methyl-3,4,7,8-tetrahydro-2H-chromen-6-yl)ethanone?
The IUPAC name of 1-(7-methyl-3,4,7,8-tetrahydro-2H-chromen-6-yl)ethanone (CID 15315367) is 1-(7-methyl-3,4,7,8-tetrahydro-2H-chromen-6-yl)ethanone.
What is the SMILES notation for 1-(7-methyl-3,4,7,8-tetrahydro-2H-chromen-6-yl)ethanone?
The canonical SMILES for 1-(7-methyl-3,4,7,8-tetrahydro-2H-chromen-6-yl)ethanone is CC(=O)C1=CC2=C(CC1C)OCCC2.
What is the InChIKey of 1-(7-methyl-3,4,7,8-tetrahydro-2H-chromen-6-yl)ethanone?
The InChIKey is PVVJAEXKTFRISL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O2/c1-8-6-12-10(4-3-5-14-12)7-11(8)9(2)13/h7-8H,3-6H2,1-2H3.
What are the key properties of 1-(7-methyl-3,4,7,8-tetrahydro-2H-chromen-6-yl)ethanone?
1-(7-methyl-3,4,7,8-tetrahydro-2H-chromen-6-yl)ethanone has a molecular weight of 192.26 g/mol, XLogP of 2.61, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-methyl-3,4,7,8-tetrahydro-2H-chromen-6-yl)ethanone is sourced from PubChem (CID 15315367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).