1-(4-methylphenyl)-8,9-dihydro-7H-benzo[7]annulene

C18H18 — CID 142467465

IUPAC1-(4-methylphenyl)-8,9-dihydro-7H-benzo[7]annulene
SMILESCc1ccc(-c2cccc3c2CCCC=C3)cc1
InChIInChI=1S/C18H18/c1-14-10-12-16(13-11-14)18-9-5-7-15-6-3-2-4-8-17(15)18/h3,5-7,9-13H,2,4,8H2,1H3
InChIKeyVHPSFMJOSHQIBA-UHFFFAOYSA-N
MW234.34 g/mol
LogP5.01
Rot. Bonds1

About 1-(4-methylphenyl)-8,9-dihydro-7H-benzo[7]annulene

1-(4-methylphenyl)-8,9-dihydro-7H-benzo[7]annulene (PubChem CID 142467465) has the molecular formula C18H18 and a molecular weight of 234.34 g/mol. Its IUPAC name is 1-(4-methylphenyl)-8,9-dihydro-7H-benzo[7]annulene.

Molecular Properties

Compound Name1-(4-methylphenyl)-8,9-dihydro-7H-benzo[7]annulene
PubChem CID142467465
Molecular FormulaC18H18
Molecular Weight234.34 g/mol
Exact Mass234.14
IUPAC Name1-(4-methylphenyl)-8,9-dihydro-7H-benzo[7]annulene
SMILESCc1ccc(-c2cccc3c2CCCC=C3)cc1
InChIInChI=1S/C18H18/c1-14-10-12-16(13-11-14)18-9-5-7-15-6-3-2-4-8-17(15)18/h3,5-7,9-13H,2,4,8H2,1H3
InChIKeyVHPSFMJOSHQIBA-UHFFFAOYSA-N
XLogP5.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500234.34
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

8,9-dihydro-7H-benzo[7]annulen-1-olate
CID 20718206
7-(4-tert-butylphenyl)-1H-indene
CID 91144251
9-[4-(8,9-dihydro-7H-benzo[7]annulen-1-yl)phenyl]-10-naphthalen-2-yl-4a,10-dihydroanthracene
CID 143168382
1-(3-methylphenyl)-7,8-dihydroisoquinoline
CID 71147862
2-(7,8-dihydronaphthalen-1-yl)-8-(3-phenylnaphthalen-2-yl)dibenzofuran
CID 70972681
N-methyl-7,8-dihydronaphthalen-1-amine
CID 145048997
8-(4-methylphenyl)-1,2,3,4-tetrahydrocyclopenta[b]indole
CID 173177356
2-methyl-1-[2-methyl-3-(4-methylphenyl)phenyl]-3-(4-methylphenyl)benzene
CID 157107498
2-ethyl-7-(4-methylphenyl)-1H-indene
CID 57273568
7-(3,4-dimethoxyphenyl)-3,4,5,6-tetrahydrochrysene
CID 174419815
8-ethyl-1,2-dihydronaphthalene
CID 13330233
1-ethyl-2-[2-methyl-3-(4-propylphenyl)phenyl]cyclohepta-1,3-diene
CID 156827286

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-8,9-dihydro-7H-benzo[7]annulene?
The IUPAC name of 1-(4-methylphenyl)-8,9-dihydro-7H-benzo[7]annulene (CID 142467465) is 1-(4-methylphenyl)-8,9-dihydro-7H-benzo[7]annulene.
What is the SMILES notation for 1-(4-methylphenyl)-8,9-dihydro-7H-benzo[7]annulene?
The canonical SMILES for 1-(4-methylphenyl)-8,9-dihydro-7H-benzo[7]annulene is Cc1ccc(-c2cccc3c2CCCC=C3)cc1.
What is the InChIKey of 1-(4-methylphenyl)-8,9-dihydro-7H-benzo[7]annulene?
The InChIKey is VHPSFMJOSHQIBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18/c1-14-10-12-16(13-11-14)18-9-5-7-15-6-3-2-4-8-17(15)18/h3,5-7,9-13H,2,4,8H2,1H3.
What are the key properties of 1-(4-methylphenyl)-8,9-dihydro-7H-benzo[7]annulene?
1-(4-methylphenyl)-8,9-dihydro-7H-benzo[7]annulene has a molecular weight of 234.34 g/mol, XLogP of 5.01, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-8,9-dihydro-7H-benzo[7]annulene is sourced from PubChem (CID 142467465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).