1,4-dihydronaphthalene;1,2,3,4-tetrahydronaphthalene

C20H22 — CID 144945752

IUPAC1,4-dihydronaphthalene;1,2,3,4-tetrahydronaphthalene
SMILESC1=CCc2ccccc2C1.c1ccc2c(c1)CCCC2
InChIInChI=1S/C10H12.C10H10/c2*1-2-6-10-8-4-3-7-9(10)5-1/h1-2,5-6H,3-4,7-8H2;1-6H,7-8H2
InChIKeyPBYPYUUZRUTOKG-UHFFFAOYSA-N
MW262.40 g/mol
LogP4.91
Rot. Bonds

About 1,4-dihydronaphthalene;1,2,3,4-tetrahydronaphthalene

1,4-dihydronaphthalene;1,2,3,4-tetrahydronaphthalene (PubChem CID 144945752) has the molecular formula C20H22 and a molecular weight of 262.40 g/mol. Its IUPAC name is 1,4-dihydronaphthalene;1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Name1,4-dihydronaphthalene;1,2,3,4-tetrahydronaphthalene
PubChem CID144945752
Molecular FormulaC20H22
Molecular Weight262.40 g/mol
Exact Mass262.17
IUPAC Name1,4-dihydronaphthalene;1,2,3,4-tetrahydronaphthalene
SMILESC1=CCc2ccccc2C1.c1ccc2c(c1)CCCC2
InChIInChI=1S/C10H12.C10H10/c2*1-2-6-10-8-4-3-7-9(10)5-1/h1-2,5-6H,3-4,7-8H2;1-6H,7-8H2
InChIKeyPBYPYUUZRUTOKG-UHFFFAOYSA-N
XLogP4.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1,2,3,4-tetrahydronaphthalene
CID 174531863
azane;1,2,3,4-tetrahydronaphthalene
CID 22598116
ethane;6,7,8,9-tetrahydro-5H-benzo[7]annulene
CID 143018675
2,3-dihydro-1H-indene;methane
CID 158581717
2,3-dihydro-1H-indene;tetrahydrochloride
CID 175293615
benzene;1H-indene;naphthalene;1,2,3,4-tetrahydronaphthalene
CID 160913528
carbonic acid;1,2,3,4-tetrahydronaphthalene
CID 175229813
2,3-dihydro-1H-indene;hypobromous acid
CID 174544280
ethane;bis(1,2,3,4-tetrahydronaphthalene);tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene
CID 161259233
1,2,3,3a,4,5,6,6a-octahydropentalene;1,2,3,4-tetrahydronaphthalene
CID 166550494
(7E)-6,9,10,11-tetrahydro-5H-benzo[9]annulene
CID 102598891
2,3-dihydro-1H-indene;1H-indene;naphthalene
CID 161039487

Frequently Asked Questions

What is the IUPAC name of 1,4-dihydronaphthalene;1,2,3,4-tetrahydronaphthalene?
The IUPAC name of 1,4-dihydronaphthalene;1,2,3,4-tetrahydronaphthalene (CID 144945752) is 1,4-dihydronaphthalene;1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for 1,4-dihydronaphthalene;1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for 1,4-dihydronaphthalene;1,2,3,4-tetrahydronaphthalene is C1=CCc2ccccc2C1.c1ccc2c(c1)CCCC2.
What is the InChIKey of 1,4-dihydronaphthalene;1,2,3,4-tetrahydronaphthalene?
The InChIKey is PBYPYUUZRUTOKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12.C10H10/c2*1-2-6-10-8-4-3-7-9(10)5-1/h1-2,5-6H,3-4,7-8H2;1-6H,7-8H2.
What are the key properties of 1,4-dihydronaphthalene;1,2,3,4-tetrahydronaphthalene?
1,4-dihydronaphthalene;1,2,3,4-tetrahydronaphthalene has a molecular weight of 262.40 g/mol, XLogP of 4.91, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dihydronaphthalene;1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 144945752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).