6-ethyl-4-phenyl-1,5-dihydropentalene

C16H16 — CID 15636400

IUPAC6-ethyl-4-phenyl-1,5-dihydropentalene
SMILESCCC1=C2CC=CC2=C(c2ccccc2)C1
InChIInChI=1S/C16H16/c1-2-12-11-16(13-7-4-3-5-8-13)15-10-6-9-14(12)15/h3-8,10H,2,9,11H2,1H3
InChIKeyQOXHSTXZPSHNSU-UHFFFAOYSA-N
MW208.30 g/mol
LogP4.51
Rot. Bonds2

About 6-ethyl-4-phenyl-1,5-dihydropentalene

6-ethyl-4-phenyl-1,5-dihydropentalene (PubChem CID 15636400) has the molecular formula C16H16 and a molecular weight of 208.30 g/mol. Its IUPAC name is 6-ethyl-4-phenyl-1,5-dihydropentalene.

Molecular Properties

Compound Name6-ethyl-4-phenyl-1,5-dihydropentalene
PubChem CID15636400
Molecular FormulaC16H16
Molecular Weight208.30 g/mol
Exact Mass208.13
IUPAC Name6-ethyl-4-phenyl-1,5-dihydropentalene
SMILESCCC1=C2CC=CC2=C(c2ccccc2)C1
InChIInChI=1S/C16H16/c1-2-12-11-16(13-7-4-3-5-8-13)15-10-6-9-14(12)15/h3-8,10H,2,9,11H2,1H3
InChIKeyQOXHSTXZPSHNSU-UHFFFAOYSA-N
XLogP4.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(2-ethylcyclopenta-1,3-dien-1-yl)benzene
CID 139667599
(2-ethyl-4,5-diphenylcyclopenta-1,4-dien-1-yl)benzene
CID 139667466
(2,4-diethyl-5-phenylcyclopenta-1,4-dien-1-yl)benzene
CID 139667552
trimethyl-(2-phenylcyclopenta-1,4-dien-1-yl)silane
CID 159054815
1-phenyl-2-(2-phenylcyclopenta-1,3-dien-1-yl)benzene
CID 174368476
(2-tert-butylcyclopenta-1,4-dien-1-yl)benzene
CID 102207082
(2-ethyl-4-methyl-5-phenylcyclopenta-1,4-dien-1-yl)benzene
CID 139667594
(4-butyl-2-phenylcyclopenta-1,3-dien-1-yl)benzene
CID 101414477
(2-methyl-3,4-dipropylcyclopenta-1,3-dien-1-yl)benzene
CID 139667580
(2-ethyl-4,4-dimethylcyclohexen-1-yl)benzene
CID 59224827
2-methyl-3-[2-(2-methyl-5-phenylthiophen-3-yl)cyclopenta-1,3-dien-1-yl]-5-phenylthiophene
CID 59420001
trimethyl-(2-phenylcyclohexa-1,4-dien-1-yl)silane
CID 71345894

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-4-phenyl-1,5-dihydropentalene?
The IUPAC name of 6-ethyl-4-phenyl-1,5-dihydropentalene (CID 15636400) is 6-ethyl-4-phenyl-1,5-dihydropentalene.
What is the SMILES notation for 6-ethyl-4-phenyl-1,5-dihydropentalene?
The canonical SMILES for 6-ethyl-4-phenyl-1,5-dihydropentalene is CCC1=C2CC=CC2=C(c2ccccc2)C1.
What is the InChIKey of 6-ethyl-4-phenyl-1,5-dihydropentalene?
The InChIKey is QOXHSTXZPSHNSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16/c1-2-12-11-16(13-7-4-3-5-8-13)15-10-6-9-14(12)15/h3-8,10H,2,9,11H2,1H3.
What are the key properties of 6-ethyl-4-phenyl-1,5-dihydropentalene?
6-ethyl-4-phenyl-1,5-dihydropentalene has a molecular weight of 208.30 g/mol, XLogP of 4.51, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-4-phenyl-1,5-dihydropentalene is sourced from PubChem (CID 15636400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).