2-(3-phenylpropoxy)naphthalene

C19H18O — CID 13432986

IUPAC2-(3-phenylpropoxy)naphthalene
SMILESc1ccc(CCCOc2ccc3ccccc3c2)cc1
InChIInChI=1S/C19H18O/c1-2-7-16(8-3-1)9-6-14-20-19-13-12-17-10-4-5-11-18(17)15-19/h1-5,7-8,10-13,15H,6,9,14H2
InChIKeyKYKPKMKYJYDIEW-UHFFFAOYSA-N
MW262.35 g/mol
LogP4.85
Rot. Bonds5

About 2-(3-phenylpropoxy)naphthalene

2-(3-phenylpropoxy)naphthalene (PubChem CID 13432986) has the molecular formula C19H18O and a molecular weight of 262.35 g/mol. Its IUPAC name is 2-(3-phenylpropoxy)naphthalene.

Molecular Properties

Compound Name2-(3-phenylpropoxy)naphthalene
PubChem CID13432986
Molecular FormulaC19H18O
Molecular Weight262.35 g/mol
Exact Mass262.14
IUPAC Name2-(3-phenylpropoxy)naphthalene
SMILESc1ccc(CCCOc2ccc3ccccc3c2)cc1
InChIInChI=1S/C19H18O/c1-2-7-16(8-3-1)9-6-14-20-19-13-12-17-10-4-5-11-18(17)15-19/h1-5,7-8,10-13,15H,6,9,14H2
InChIKeyKYKPKMKYJYDIEW-UHFFFAOYSA-N
XLogP4.85
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 54.85
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

4-naphthalen-2-yloxy-N-(2-phenylethyl)butan-1-amine
CID 10064569
6-(4-phenylbutoxy)naphthalene-2-carbaldehyde
CID 86087627
N-methyl-1-[6-(5-phenylpentoxy)naphthalen-2-yl]methanamine
CID 66853441
11-naphthalen-2-yloxyundecan-1-ol
CID 164916130
2-(9-bromononoxy)naphthalene
CID 105343234
dimethyl-[3-(3-phenylpropoxy)phenyl]borane;methane
CID 159529866
[2,4-bis(3-phenylpropoxy)phenyl]methanol
CID 54794890
naphthalen-2-yl 4-(2-phenylethoxy)benzoate
CID 23012279
2-[4-(3-phenylpropoxy)phenyl]ethanamine;hydrochloride
CID 11680862
2-[3-(fluoromethoxy)propoxy]naphthalene
CID 71043107
[4-(2-naphthalen-2-yloxyethoxy)phenyl]methanamine
CID 20990903
3-chloro-2,6-bis(2-phenylethoxy)naphthalene
CID 121473068

Frequently Asked Questions

What is the IUPAC name of 2-(3-phenylpropoxy)naphthalene?
The IUPAC name of 2-(3-phenylpropoxy)naphthalene (CID 13432986) is 2-(3-phenylpropoxy)naphthalene.
What is the SMILES notation for 2-(3-phenylpropoxy)naphthalene?
The canonical SMILES for 2-(3-phenylpropoxy)naphthalene is c1ccc(CCCOc2ccc3ccccc3c2)cc1.
What is the InChIKey of 2-(3-phenylpropoxy)naphthalene?
The InChIKey is KYKPKMKYJYDIEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18O/c1-2-7-16(8-3-1)9-6-14-20-19-13-12-17-10-4-5-11-18(17)15-19/h1-5,7-8,10-13,15H,6,9,14H2.
What are the key properties of 2-(3-phenylpropoxy)naphthalene?
2-(3-phenylpropoxy)naphthalene has a molecular weight of 262.35 g/mol, XLogP of 4.85, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-phenylpropoxy)naphthalene is sourced from PubChem (CID 13432986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).