5-methoxy-5-methyl-1-phenylcyclohexa-1,3-diene

C14H16O — CID 150430637

IUPAC5-methoxy-5-methyl-1-phenylcyclohexa-1,3-diene
SMILESCOC1(C)C=CC=C(c2ccccc2)C1
InChIInChI=1S/C14H16O/c1-14(15-2)10-6-9-13(11-14)12-7-4-3-5-8-12/h3-10H,11H2,1-2H3
InChIKeyHJSAYPITOPEUCG-UHFFFAOYSA-N
MW200.28 g/mol
LogP3.43
Rot. Bonds2

About 5-methoxy-5-methyl-1-phenylcyclohexa-1,3-diene

5-methoxy-5-methyl-1-phenylcyclohexa-1,3-diene (PubChem CID 150430637) has the molecular formula C14H16O and a molecular weight of 200.28 g/mol. Its IUPAC name is 5-methoxy-5-methyl-1-phenylcyclohexa-1,3-diene.

Molecular Properties

Compound Name5-methoxy-5-methyl-1-phenylcyclohexa-1,3-diene
PubChem CID150430637
Molecular FormulaC14H16O
Molecular Weight200.28 g/mol
Exact Mass200.12
IUPAC Name5-methoxy-5-methyl-1-phenylcyclohexa-1,3-diene
SMILESCOC1(C)C=CC=C(c2ccccc2)C1
InChIInChI=1S/C14H16O/c1-14(15-2)10-6-9-13(11-14)12-7-4-3-5-8-12/h3-10H,11H2,1-2H3
InChIKeyHJSAYPITOPEUCG-UHFFFAOYSA-N
XLogP3.43
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-5-methyl-1-phenylcyclohexa-1,3-diene?
The IUPAC name of 5-methoxy-5-methyl-1-phenylcyclohexa-1,3-diene (CID 150430637) is 5-methoxy-5-methyl-1-phenylcyclohexa-1,3-diene.
What is the SMILES notation for 5-methoxy-5-methyl-1-phenylcyclohexa-1,3-diene?
The canonical SMILES for 5-methoxy-5-methyl-1-phenylcyclohexa-1,3-diene is COC1(C)C=CC=C(c2ccccc2)C1.
What is the InChIKey of 5-methoxy-5-methyl-1-phenylcyclohexa-1,3-diene?
The InChIKey is HJSAYPITOPEUCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O/c1-14(15-2)10-6-9-13(11-14)12-7-4-3-5-8-12/h3-10H,11H2,1-2H3.
What are the key properties of 5-methoxy-5-methyl-1-phenylcyclohexa-1,3-diene?
5-methoxy-5-methyl-1-phenylcyclohexa-1,3-diene has a molecular weight of 200.28 g/mol, XLogP of 3.43, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-5-methyl-1-phenylcyclohexa-1,3-diene is sourced from PubChem (CID 150430637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).