2-(3-methylphenyl)bicyclo[4.1.0]hepta-2,4-diene

C14H14 — CID 143952682

IUPAC2-(3-methylphenyl)bicyclo[4.1.0]hepta-2,4-diene
SMILESCc1cccc(C2=CC=CC3CC23)c1
InChIInChI=1S/C14H14/c1-10-4-2-5-11(8-10)13-7-3-6-12-9-14(12)13/h2-8,12,14H,9H2,1H3
InChIKeyNTBFKZSALHNDMW-UHFFFAOYSA-N
MW182.27 g/mol
LogP3.58
Rot. Bonds1

About 2-(3-methylphenyl)bicyclo[4.1.0]hepta-2,4-diene

2-(3-methylphenyl)bicyclo[4.1.0]hepta-2,4-diene (PubChem CID 143952682) has the molecular formula C14H14 and a molecular weight of 182.27 g/mol. Its IUPAC name is 2-(3-methylphenyl)bicyclo[4.1.0]hepta-2,4-diene.

Molecular Properties

Compound Name2-(3-methylphenyl)bicyclo[4.1.0]hepta-2,4-diene
PubChem CID143952682
Molecular FormulaC14H14
Molecular Weight182.27 g/mol
Exact Mass182.11
IUPAC Name2-(3-methylphenyl)bicyclo[4.1.0]hepta-2,4-diene
SMILESCc1cccc(C2=CC=CC3CC23)c1
InChIInChI=1S/C14H14/c1-10-4-2-5-11(8-10)13-7-3-6-12-9-14(12)13/h2-8,12,14H,9H2,1H3
InChIKeyNTBFKZSALHNDMW-UHFFFAOYSA-N
XLogP3.58
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-(3-methylphenyl)bicyclo[2.2.1]hept-2-ene
CID 54093504
methane;1-methyl-3-(4-methylphenyl)benzene
CID 158328523
ethane;1-methyl-3-[3-[3-(3-methylphenyl)phenyl]phenyl]benzene
CID 90845848
ethane;methane;1-methyl-3-phenylbenzene
CID 144644852
2-(3-methylphenyl)-1H-azepine
CID 174971319
1,1'-biphenyl;1-cyclopenta-1,3-dien-1-yl-3-methylbenzene
CID 174397877
ethane;1-methyl-3-phenylbenzene
CID 142040878
1-methyl-3-[4-(4-phenylphenyl)phenyl]benzene
CID 58879503
1,3-dimethyl-5-[3-methyl-5-[3-methyl-5-(3-methylphenyl)phenyl]phenyl]benzene
CID 140856009
1-methyl-3-[4-[3-(4-methylphenyl)phenyl]phenyl]benzene
CID 58892418
(6R)-2,5-diphenylbicyclo[4.1.0]hepta-2,4-diene
CID 145063916
ethane;methane;1,3-xylene
CID 145463381

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenyl)bicyclo[4.1.0]hepta-2,4-diene?
The IUPAC name of 2-(3-methylphenyl)bicyclo[4.1.0]hepta-2,4-diene (CID 143952682) is 2-(3-methylphenyl)bicyclo[4.1.0]hepta-2,4-diene.
What is the SMILES notation for 2-(3-methylphenyl)bicyclo[4.1.0]hepta-2,4-diene?
The canonical SMILES for 2-(3-methylphenyl)bicyclo[4.1.0]hepta-2,4-diene is Cc1cccc(C2=CC=CC3CC23)c1.
What is the InChIKey of 2-(3-methylphenyl)bicyclo[4.1.0]hepta-2,4-diene?
The InChIKey is NTBFKZSALHNDMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14/c1-10-4-2-5-11(8-10)13-7-3-6-12-9-14(12)13/h2-8,12,14H,9H2,1H3.
What are the key properties of 2-(3-methylphenyl)bicyclo[4.1.0]hepta-2,4-diene?
2-(3-methylphenyl)bicyclo[4.1.0]hepta-2,4-diene has a molecular weight of 182.27 g/mol, XLogP of 3.58, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenyl)bicyclo[4.1.0]hepta-2,4-diene is sourced from PubChem (CID 143952682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).