(2-methoxy-6-methylidenecyclohexa-2,4-dien-1-ylidene)methanone

C9H8O2 — CID 10057645

IUPAC(2-methoxy-6-methylidenecyclohexa-2,4-dien-1-ylidene)methanone
SMILESC=c1cccc(OC)c1=C=O
InChIInChI=1S/C9H8O2/c1-7-4-3-5-9(11-2)8(7)6-10/h3-5H,1H2,2H3
InChIKeySQJWDWZIZHATFV-UHFFFAOYSA-N
MW148.16 g/mol
LogP-0.39
Rot. Bonds1

About (2-methoxy-6-methylidenecyclohexa-2,4-dien-1-ylidene)methanone

(2-methoxy-6-methylidenecyclohexa-2,4-dien-1-ylidene)methanone (PubChem CID 10057645) has the molecular formula C9H8O2 and a molecular weight of 148.16 g/mol. Its IUPAC name is (2-methoxy-6-methylidenecyclohexa-2,4-dien-1-ylidene)methanone.

Molecular Properties

Compound Name(2-methoxy-6-methylidenecyclohexa-2,4-dien-1-ylidene)methanone
PubChem CID10057645
Molecular FormulaC9H8O2
Molecular Weight148.16 g/mol
Exact Mass148.05
IUPAC Name(2-methoxy-6-methylidenecyclohexa-2,4-dien-1-ylidene)methanone
SMILESC=c1cccc(OC)c1=C=O
InChIInChI=1S/C9H8O2/c1-7-4-3-5-9(11-2)8(7)6-10/h3-5H,1H2,2H3
InChIKeySQJWDWZIZHATFV-UHFFFAOYSA-N
XLogP-0.39
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.16
LogP ≤ 5-0.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2-methoxy-6-methylidenecyclohexa-2,4-dien-1-ylidene)methanone?
The IUPAC name of (2-methoxy-6-methylidenecyclohexa-2,4-dien-1-ylidene)methanone (CID 10057645) is (2-methoxy-6-methylidenecyclohexa-2,4-dien-1-ylidene)methanone.
What is the SMILES notation for (2-methoxy-6-methylidenecyclohexa-2,4-dien-1-ylidene)methanone?
The canonical SMILES for (2-methoxy-6-methylidenecyclohexa-2,4-dien-1-ylidene)methanone is C=c1cccc(OC)c1=C=O.
What is the InChIKey of (2-methoxy-6-methylidenecyclohexa-2,4-dien-1-ylidene)methanone?
The InChIKey is SQJWDWZIZHATFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8O2/c1-7-4-3-5-9(11-2)8(7)6-10/h3-5H,1H2,2H3.
What are the key properties of (2-methoxy-6-methylidenecyclohexa-2,4-dien-1-ylidene)methanone?
(2-methoxy-6-methylidenecyclohexa-2,4-dien-1-ylidene)methanone has a molecular weight of 148.16 g/mol, XLogP of -0.39, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxy-6-methylidenecyclohexa-2,4-dien-1-ylidene)methanone is sourced from PubChem (CID 10057645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).