1-decoxyphenanthrene

C24H30O — CID 140993229

IUPAC1-decoxyphenanthrene
SMILESCCCCCCCCCCOc1cccc2c1ccc1ccccc12
InChIInChI=1S/C24H30O/c1-2-3-4-5-6-7-8-11-19-25-24-16-12-15-22-21-14-10-9-13-20(21)17-18-23(22)24/h9-10,12-18H,2-8,11,19H2,1H3
InChIKeyKOUSJYYVZYUFIB-UHFFFAOYSA-N
MW334.50 g/mol
LogP7.51
Rot. Bonds10

About 1-decoxyphenanthrene

1-decoxyphenanthrene (PubChem CID 140993229) has the molecular formula C24H30O and a molecular weight of 334.50 g/mol. Its IUPAC name is 1-decoxyphenanthrene.

Molecular Properties

Compound Name1-decoxyphenanthrene
PubChem CID140993229
Molecular FormulaC24H30O
Molecular Weight334.50 g/mol
Exact Mass334.23
IUPAC Name1-decoxyphenanthrene
SMILESCCCCCCCCCCOc1cccc2c1ccc1ccccc12
InChIInChI=1S/C24H30O/c1-2-3-4-5-6-7-8-11-19-25-24-16-12-15-22-21-14-10-9-13-20(21)17-18-23(22)24/h9-10,12-18H,2-8,11,19H2,1H3
InChIKeyKOUSJYYVZYUFIB-UHFFFAOYSA-N
XLogP7.51
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.50
LogP ≤ 57.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

1,4-didodecoxynaphthalene
CID 21304164
1-butoxynaphthalene
CID 13262700
1-ethoxyphenanthrene
CID 19828992
1,2,3-tridodecoxybenzene
CID 11308140
1,2,3-trihexadecoxybenzene
CID 15518170
1-nonoxyanthracene
CID 86193569
chrysen-1-yl hexyl carbonate
CID 175200150
heptane;phenanthrene
CID 157482146
5-pentoxynaphthalen-1-ol
CID 67823980
2,3-dihexoxy-1-methylphenanthrene
CID 10069112
1,2-diethoxy-3-pentoxybenzene
CID 174527240
1-bromo-2-nonoxynaphthalene
CID 63529773

Frequently Asked Questions

What is the IUPAC name of 1-decoxyphenanthrene?
The IUPAC name of 1-decoxyphenanthrene (CID 140993229) is 1-decoxyphenanthrene.
What is the SMILES notation for 1-decoxyphenanthrene?
The canonical SMILES for 1-decoxyphenanthrene is CCCCCCCCCCOc1cccc2c1ccc1ccccc12.
What is the InChIKey of 1-decoxyphenanthrene?
The InChIKey is KOUSJYYVZYUFIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30O/c1-2-3-4-5-6-7-8-11-19-25-24-16-12-15-22-21-14-10-9-13-20(21)17-18-23(22)24/h9-10,12-18H,2-8,11,19H2,1H3.
What are the key properties of 1-decoxyphenanthrene?
1-decoxyphenanthrene has a molecular weight of 334.50 g/mol, XLogP of 7.51, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-decoxyphenanthrene is sourced from PubChem (CID 140993229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).