2-pentoxy-9,10-dihydrophenanthrene

C19H22O — CID 143490734

IUPAC2-pentoxy-9,10-dihydrophenanthrene
SMILESCCCCCOc1ccc2c(c1)CCc1ccccc1-2
InChIInChI=1S/C19H22O/c1-2-3-6-13-20-17-11-12-19-16(14-17)10-9-15-7-4-5-8-18(15)19/h4-5,7-8,11-12,14H,2-3,6,9-10,13H2,1H3
InChIKeyPLTSUMYEHOJSHT-UHFFFAOYSA-N
MW266.38 g/mol
LogP5.02
Rot. Bonds5

About 2-pentoxy-9,10-dihydrophenanthrene

2-pentoxy-9,10-dihydrophenanthrene (PubChem CID 143490734) has the molecular formula C19H22O and a molecular weight of 266.38 g/mol. Its IUPAC name is 2-pentoxy-9,10-dihydrophenanthrene.

Molecular Properties

Compound Name2-pentoxy-9,10-dihydrophenanthrene
PubChem CID143490734
Molecular FormulaC19H22O
Molecular Weight266.38 g/mol
Exact Mass266.17
IUPAC Name2-pentoxy-9,10-dihydrophenanthrene
SMILESCCCCCOc1ccc2c(c1)CCc1ccccc1-2
InChIInChI=1S/C19H22O/c1-2-3-6-13-20-17-11-12-19-16(14-17)10-9-15-7-4-5-8-18(15)19/h4-5,7-8,11-12,14H,2-3,6,9-10,13H2,1H3
InChIKeyPLTSUMYEHOJSHT-UHFFFAOYSA-N
XLogP5.02
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500266.38
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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1-fluoro-7-heptoxy-2-pentoxy-9,10-dihydrophenanthrene
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CID 21267085
1,3-difluoro-2-heptoxy-7-nonoxy-9,10-dihydrophenanthrene
CID 140993233
6,19-diheptoxypentacyclo[12.8.0.02,11.03,8.017,22]docosa-1,3(8),4,6,11,13,17(22),18,20-nonaene-12,13-dicarbonitrile
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2-(12-docosoxydodecoxy)fluoren-9-one
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CID 104986122

Frequently Asked Questions

What is the IUPAC name of 2-pentoxy-9,10-dihydrophenanthrene?
The IUPAC name of 2-pentoxy-9,10-dihydrophenanthrene (CID 143490734) is 2-pentoxy-9,10-dihydrophenanthrene.
What is the SMILES notation for 2-pentoxy-9,10-dihydrophenanthrene?
The canonical SMILES for 2-pentoxy-9,10-dihydrophenanthrene is CCCCCOc1ccc2c(c1)CCc1ccccc1-2.
What is the InChIKey of 2-pentoxy-9,10-dihydrophenanthrene?
The InChIKey is PLTSUMYEHOJSHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O/c1-2-3-6-13-20-17-11-12-19-16(14-17)10-9-15-7-4-5-8-18(15)19/h4-5,7-8,11-12,14H,2-3,6,9-10,13H2,1H3.
What are the key properties of 2-pentoxy-9,10-dihydrophenanthrene?
2-pentoxy-9,10-dihydrophenanthrene has a molecular weight of 266.38 g/mol, XLogP of 5.02, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pentoxy-9,10-dihydrophenanthrene is sourced from PubChem (CID 143490734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).