1-(7-hydroxynaphthalen-2-yl)cyclobutane-1-carbaldehyde

C15H14O2 — CID 105483878

IUPAC1-(7-hydroxynaphthalen-2-yl)cyclobutane-1-carbaldehyde
SMILESO=CC1(c2ccc3ccc(O)cc3c2)CCC1
InChIInChI=1S/C15H14O2/c16-10-15(6-1-7-15)13-4-2-11-3-5-14(17)9-12(11)8-13/h2-5,8-10,17H,1,6-7H2
InChIKeyVWDNWGDTTOHKDE-UHFFFAOYSA-N
MW226.28 g/mol
LogP3.17
Rot. Bonds2

About 1-(7-hydroxynaphthalen-2-yl)cyclobutane-1-carbaldehyde

1-(7-hydroxynaphthalen-2-yl)cyclobutane-1-carbaldehyde (PubChem CID 105483878) has the molecular formula C15H14O2 and a molecular weight of 226.28 g/mol. Its IUPAC name is 1-(7-hydroxynaphthalen-2-yl)cyclobutane-1-carbaldehyde.

Molecular Properties

Compound Name1-(7-hydroxynaphthalen-2-yl)cyclobutane-1-carbaldehyde
PubChem CID105483878
Molecular FormulaC15H14O2
Molecular Weight226.28 g/mol
Exact Mass226.10
IUPAC Name1-(7-hydroxynaphthalen-2-yl)cyclobutane-1-carbaldehyde
SMILESO=CC1(c2ccc3ccc(O)cc3c2)CCC1
InChIInChI=1S/C15H14O2/c16-10-15(6-1-7-15)13-4-2-11-3-5-14(17)9-12(11)8-13/h2-5,8-10,17H,1,6-7H2
InChIKeyVWDNWGDTTOHKDE-UHFFFAOYSA-N
XLogP3.17
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(7-hydroxynaphthalen-2-yl)cyclobutane-1-carbaldehyde?
The IUPAC name of 1-(7-hydroxynaphthalen-2-yl)cyclobutane-1-carbaldehyde (CID 105483878) is 1-(7-hydroxynaphthalen-2-yl)cyclobutane-1-carbaldehyde.
What is the SMILES notation for 1-(7-hydroxynaphthalen-2-yl)cyclobutane-1-carbaldehyde?
The canonical SMILES for 1-(7-hydroxynaphthalen-2-yl)cyclobutane-1-carbaldehyde is O=CC1(c2ccc3ccc(O)cc3c2)CCC1.
What is the InChIKey of 1-(7-hydroxynaphthalen-2-yl)cyclobutane-1-carbaldehyde?
The InChIKey is VWDNWGDTTOHKDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O2/c16-10-15(6-1-7-15)13-4-2-11-3-5-14(17)9-12(11)8-13/h2-5,8-10,17H,1,6-7H2.
What are the key properties of 1-(7-hydroxynaphthalen-2-yl)cyclobutane-1-carbaldehyde?
1-(7-hydroxynaphthalen-2-yl)cyclobutane-1-carbaldehyde has a molecular weight of 226.28 g/mol, XLogP of 3.17, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-hydroxynaphthalen-2-yl)cyclobutane-1-carbaldehyde is sourced from PubChem (CID 105483878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).