3-(4-methylphenyl)-4,5-dihydro-1H-indene

C16H16 — CID 57241660

IUPAC3-(4-methylphenyl)-4,5-dihydro-1H-indene
SMILESCc1ccc(C2=CCC3=C2CCC=C3)cc1
InChIInChI=1S/C16H16/c1-12-6-8-14(9-7-12)16-11-10-13-4-2-3-5-15(13)16/h2,4,6-9,11H,3,5,10H2,1H3
InChIKeyDJPSMHFHJWEHPM-UHFFFAOYSA-N
MW208.30 g/mol
LogP4.43
Rot. Bonds1

About 3-(4-methylphenyl)-4,5-dihydro-1H-indene

3-(4-methylphenyl)-4,5-dihydro-1H-indene (PubChem CID 57241660) has the molecular formula C16H16 and a molecular weight of 208.30 g/mol. Its IUPAC name is 3-(4-methylphenyl)-4,5-dihydro-1H-indene.

Molecular Properties

Compound Name3-(4-methylphenyl)-4,5-dihydro-1H-indene
PubChem CID57241660
Molecular FormulaC16H16
Molecular Weight208.30 g/mol
Exact Mass208.13
IUPAC Name3-(4-methylphenyl)-4,5-dihydro-1H-indene
SMILESCc1ccc(C2=CCC3=C2CCC=C3)cc1
InChIInChI=1S/C16H16/c1-12-6-8-14(9-7-12)16-11-10-13-4-2-3-5-15(13)16/h2,4,6-9,11H,3,5,10H2,1H3
InChIKeyDJPSMHFHJWEHPM-UHFFFAOYSA-N
XLogP4.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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platinum;1,4-xylene
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1-[2-chloro-6-(4-methylphenyl)cyclohexa-1,5-dien-1-yl]-4-methylbenzene
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2,3-diamino-4-(4-methylphenyl)cyclohexa-2,4-dien-1-one
CID 163867412
CID 91435549
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Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)-4,5-dihydro-1H-indene?
The IUPAC name of 3-(4-methylphenyl)-4,5-dihydro-1H-indene (CID 57241660) is 3-(4-methylphenyl)-4,5-dihydro-1H-indene.
What is the SMILES notation for 3-(4-methylphenyl)-4,5-dihydro-1H-indene?
The canonical SMILES for 3-(4-methylphenyl)-4,5-dihydro-1H-indene is Cc1ccc(C2=CCC3=C2CCC=C3)cc1.
What is the InChIKey of 3-(4-methylphenyl)-4,5-dihydro-1H-indene?
The InChIKey is DJPSMHFHJWEHPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16/c1-12-6-8-14(9-7-12)16-11-10-13-4-2-3-5-15(13)16/h2,4,6-9,11H,3,5,10H2,1H3.
What are the key properties of 3-(4-methylphenyl)-4,5-dihydro-1H-indene?
3-(4-methylphenyl)-4,5-dihydro-1H-indene has a molecular weight of 208.30 g/mol, XLogP of 4.43, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)-4,5-dihydro-1H-indene is sourced from PubChem (CID 57241660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).