7-naphthalen-2-yloxyhept-1-en-2-ol;7-phenoxyheptanoic acid

C30H38O5 — CID 142555258

IUPAC7-naphthalen-2-yloxyhept-1-en-2-ol;7-phenoxyheptanoic acid
SMILESC=C(O)CCCCCOc1ccc2ccccc2c1.O=C(O)CCCCCCOc1ccccc1
InChIInChI=1S/C17H20O2.C13H18O3/c1-14(18)7-3-2-6-12-19-17-11-10-15-8-4-5-9-16(15)13-17;14-13(15)10-6-1-2-7-11-16-12-8-4-3-5-9-12/h4-5,8-11,13,18H,1-3,6-7,12H2;3-5,8-9H,1-2,6-7,10-11H2,(H,14,15)
InChIKeyVFASFZZFNWVLJD-UHFFFAOYSA-N
MW478.63 g/mol
LogP7.95
Rot. Bonds15

About 7-naphthalen-2-yloxyhept-1-en-2-ol;7-phenoxyheptanoic acid

7-naphthalen-2-yloxyhept-1-en-2-ol;7-phenoxyheptanoic acid (PubChem CID 142555258) has the molecular formula C30H38O5 and a molecular weight of 478.63 g/mol. Its IUPAC name is 7-naphthalen-2-yloxyhept-1-en-2-ol;7-phenoxyheptanoic acid.

Molecular Properties

Compound Name7-naphthalen-2-yloxyhept-1-en-2-ol;7-phenoxyheptanoic acid
PubChem CID142555258
Molecular FormulaC30H38O5
Molecular Weight478.63 g/mol
Exact Mass478.27
IUPAC Name7-naphthalen-2-yloxyhept-1-en-2-ol;7-phenoxyheptanoic acid
SMILESC=C(O)CCCCCOc1ccc2ccccc2c1.O=C(O)CCCCCCOc1ccccc1
InChIInChI=1S/C17H20O2.C13H18O3/c1-14(18)7-3-2-6-12-19-17-11-10-15-8-4-5-9-16(15)13-17;14-13(15)10-6-1-2-7-11-16-12-8-4-3-5-9-12/h4-5,8-11,13,18H,1-3,6-7,12H2;3-5,8-9H,1-2,6-7,10-11H2,(H,14,15)
InChIKeyVFASFZZFNWVLJD-UHFFFAOYSA-N
XLogP7.95
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.63
LogP ≤ 57.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

7-naphthalen-2-yloxyheptanoic acid
CID 39371628
2-methylidene-12-naphthalen-2-yloxydodecanoic acid
CID 118914918
9-phenoxynonanoic acid
CID 15887638
5-naphthalen-1-yloxypentanoic acid;5-naphthalen-2-yloxypentanoic acid
CID 138543521
9-(4-phenylphenoxy)nonanoic acid
CID 66874790
8-naphthalen-2-yloxy-8-oxooctanoic acid
CID 70617046
5-[2-(4-naphthalen-2-yloxybutoxy)-9H-fluoren-9-yl]pentanoic acid
CID 143490688
3-[methyl(3-naphthalen-2-yloxypropyl)amino]propanoic acid
CID 82224138
8-naphthalen-2-yloxyoctyl 2-methylprop-2-enoate
CID 67166599
7-(4-phenylmethoxyphenoxy)heptanoic acid
CID 66930866
8-(4-phenylmethoxyphenoxy)octanoic acid
CID 67165389
2-methylidene-9-phenoxynonanoic acid
CID 57103859

Frequently Asked Questions

What is the IUPAC name of 7-naphthalen-2-yloxyhept-1-en-2-ol;7-phenoxyheptanoic acid?
The IUPAC name of 7-naphthalen-2-yloxyhept-1-en-2-ol;7-phenoxyheptanoic acid (CID 142555258) is 7-naphthalen-2-yloxyhept-1-en-2-ol;7-phenoxyheptanoic acid.
What is the SMILES notation for 7-naphthalen-2-yloxyhept-1-en-2-ol;7-phenoxyheptanoic acid?
The canonical SMILES for 7-naphthalen-2-yloxyhept-1-en-2-ol;7-phenoxyheptanoic acid is C=C(O)CCCCCOc1ccc2ccccc2c1.O=C(O)CCCCCCOc1ccccc1.
What is the InChIKey of 7-naphthalen-2-yloxyhept-1-en-2-ol;7-phenoxyheptanoic acid?
The InChIKey is VFASFZZFNWVLJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20O2.C13H18O3/c1-14(18)7-3-2-6-12-19-17-11-10-15-8-4-5-9-16(15)13-17;14-13(15)10-6-1-2-7-11-16-12-8-4-3-5-9-12/h4-5,8-11,13,18H,1-3,6-7,12H2;3-5,8-9H,1-2,6-7,10-11H2,(H,14,15).
What are the key properties of 7-naphthalen-2-yloxyhept-1-en-2-ol;7-phenoxyheptanoic acid?
7-naphthalen-2-yloxyhept-1-en-2-ol;7-phenoxyheptanoic acid has a molecular weight of 478.63 g/mol, XLogP of 7.95, 15 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-naphthalen-2-yloxyhept-1-en-2-ol;7-phenoxyheptanoic acid is sourced from PubChem (CID 142555258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).