1-methoxy-4-[(2-phenylcyclohexa-2,4-dien-1-ylidene)methyl]benzene

C20H18O — CID 175596767

IUPAC1-methoxy-4-[(2-phenylcyclohexa-2,4-dien-1-ylidene)methyl]benzene
SMILESCOc1ccc(C=C2CC=CC=C2c2ccccc2)cc1
InChIInChI=1S/C20H18O/c1-21-19-13-11-16(12-14-19)15-18-9-5-6-10-20(18)17-7-3-2-4-8-17/h2-8,10-15H,9H2,1H3
InChIKeyUCGLCRSFFJRNHX-UHFFFAOYSA-N
MW274.36 g/mol
LogP5.12
Rot. Bonds3

About 1-methoxy-4-[(2-phenylcyclohexa-2,4-dien-1-ylidene)methyl]benzene

1-methoxy-4-[(2-phenylcyclohexa-2,4-dien-1-ylidene)methyl]benzene (PubChem CID 175596767) has the molecular formula C20H18O and a molecular weight of 274.36 g/mol. Its IUPAC name is 1-methoxy-4-[(2-phenylcyclohexa-2,4-dien-1-ylidene)methyl]benzene.

Molecular Properties

Compound Name1-methoxy-4-[(2-phenylcyclohexa-2,4-dien-1-ylidene)methyl]benzene
PubChem CID175596767
Molecular FormulaC20H18O
Molecular Weight274.36 g/mol
Exact Mass274.14
IUPAC Name1-methoxy-4-[(2-phenylcyclohexa-2,4-dien-1-ylidene)methyl]benzene
SMILESCOc1ccc(C=C2CC=CC=C2c2ccccc2)cc1
InChIInChI=1S/C20H18O/c1-21-19-13-11-16(12-14-19)15-18-9-5-6-10-20(18)17-7-3-2-4-8-17/h2-8,10-15H,9H2,1H3
InChIKeyUCGLCRSFFJRNHX-UHFFFAOYSA-N
XLogP5.12
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500274.36
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-4-[(2-phenylcyclohexa-2,4-dien-1-ylidene)methyl]benzene?
The IUPAC name of 1-methoxy-4-[(2-phenylcyclohexa-2,4-dien-1-ylidene)methyl]benzene (CID 175596767) is 1-methoxy-4-[(2-phenylcyclohexa-2,4-dien-1-ylidene)methyl]benzene.
What is the SMILES notation for 1-methoxy-4-[(2-phenylcyclohexa-2,4-dien-1-ylidene)methyl]benzene?
The canonical SMILES for 1-methoxy-4-[(2-phenylcyclohexa-2,4-dien-1-ylidene)methyl]benzene is COc1ccc(C=C2CC=CC=C2c2ccccc2)cc1.
What is the InChIKey of 1-methoxy-4-[(2-phenylcyclohexa-2,4-dien-1-ylidene)methyl]benzene?
The InChIKey is UCGLCRSFFJRNHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18O/c1-21-19-13-11-16(12-14-19)15-18-9-5-6-10-20(18)17-7-3-2-4-8-17/h2-8,10-15H,9H2,1H3.
What are the key properties of 1-methoxy-4-[(2-phenylcyclohexa-2,4-dien-1-ylidene)methyl]benzene?
1-methoxy-4-[(2-phenylcyclohexa-2,4-dien-1-ylidene)methyl]benzene has a molecular weight of 274.36 g/mol, XLogP of 5.12, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-4-[(2-phenylcyclohexa-2,4-dien-1-ylidene)methyl]benzene is sourced from PubChem (CID 175596767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).