2-(2-phenylheptyl)naphthalene

C23H26 — CID 174423017

IUPAC2-(2-phenylheptyl)naphthalene
SMILESCCCCCC(Cc1ccc2ccccc2c1)c1ccccc1
InChIInChI=1S/C23H26/c1-2-3-5-13-22(20-10-6-4-7-11-20)17-19-15-16-21-12-8-9-14-23(21)18-19/h4,6-12,14-16,18,22H,2-3,5,13,17H2,1H3
InChIKeyUQQINMMSHOECBF-UHFFFAOYSA-N
MW302.46 g/mol
LogP6.75
Rot. Bonds7

About 2-(2-phenylheptyl)naphthalene

2-(2-phenylheptyl)naphthalene (PubChem CID 174423017) has the molecular formula C23H26 and a molecular weight of 302.46 g/mol. Its IUPAC name is 2-(2-phenylheptyl)naphthalene.

Molecular Properties

Compound Name2-(2-phenylheptyl)naphthalene
PubChem CID174423017
Molecular FormulaC23H26
Molecular Weight302.46 g/mol
Exact Mass302.20
IUPAC Name2-(2-phenylheptyl)naphthalene
SMILESCCCCCC(Cc1ccc2ccccc2c1)c1ccccc1
InChIInChI=1S/C23H26/c1-2-3-5-13-22(20-10-6-4-7-11-20)17-19-15-16-21-12-8-9-14-23(21)18-19/h4,6-12,14-16,18,22H,2-3,5,13,17H2,1H3
InChIKeyUQQINMMSHOECBF-UHFFFAOYSA-N
XLogP6.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.46
LogP ≤ 56.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

4-(1-naphthalen-2-ylheptan-2-yl)benzonitrile
CID 174430429
2-[2-[4-(4-chlorophenyl)phenyl]heptyl]naphthalene
CID 174443793
2-[2-[4-(difluoromethoxy)phenyl]heptyl]naphthalene
CID 174412799
1-phenyltridecan-2-ylbenzene
CID 22919631
1-phenylundecan-2-ylbenzene
CID 22919994
N-ethyl-1-naphthalen-2-ylheptan-2-amine
CID 63527367
2-octan-3-ylnaphthalene
CID 14029920
icosan-10-ylbenzene
CID 54351357
hentriacontan-13-ylbenzene
CID 91306613
octan-3-ylbenzene
CID 519547
10-phenyltetradecan-5-ylbenzene
CID 22891787
ethane;2-hexylnaphthalene
CID 142191207

Frequently Asked Questions

What is the IUPAC name of 2-(2-phenylheptyl)naphthalene?
The IUPAC name of 2-(2-phenylheptyl)naphthalene (CID 174423017) is 2-(2-phenylheptyl)naphthalene.
What is the SMILES notation for 2-(2-phenylheptyl)naphthalene?
The canonical SMILES for 2-(2-phenylheptyl)naphthalene is CCCCCC(Cc1ccc2ccccc2c1)c1ccccc1.
What is the InChIKey of 2-(2-phenylheptyl)naphthalene?
The InChIKey is UQQINMMSHOECBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26/c1-2-3-5-13-22(20-10-6-4-7-11-20)17-19-15-16-21-12-8-9-14-23(21)18-19/h4,6-12,14-16,18,22H,2-3,5,13,17H2,1H3.
What are the key properties of 2-(2-phenylheptyl)naphthalene?
2-(2-phenylheptyl)naphthalene has a molecular weight of 302.46 g/mol, XLogP of 6.75, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenylheptyl)naphthalene is sourced from PubChem (CID 174423017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).