1-(5-hydroxynaphthalen-1-yl)cyclopropane-1-carbaldehyde

C14H12O2 — CID 105465875

IUPAC1-(5-hydroxynaphthalen-1-yl)cyclopropane-1-carbaldehyde
SMILESO=CC1(c2cccc3c(O)cccc23)CC1
InChIInChI=1S/C14H12O2/c15-9-14(7-8-14)12-5-1-4-11-10(12)3-2-6-13(11)16/h1-6,9,16H,7-8H2
InChIKeyOVZKCANQLLBIQI-UHFFFAOYSA-N
MW212.25 g/mol
LogP2.78
Rot. Bonds2

About 1-(5-hydroxynaphthalen-1-yl)cyclopropane-1-carbaldehyde

1-(5-hydroxynaphthalen-1-yl)cyclopropane-1-carbaldehyde (PubChem CID 105465875) has the molecular formula C14H12O2 and a molecular weight of 212.25 g/mol. Its IUPAC name is 1-(5-hydroxynaphthalen-1-yl)cyclopropane-1-carbaldehyde.

Molecular Properties

Compound Name1-(5-hydroxynaphthalen-1-yl)cyclopropane-1-carbaldehyde
PubChem CID105465875
Molecular FormulaC14H12O2
Molecular Weight212.25 g/mol
Exact Mass212.08
IUPAC Name1-(5-hydroxynaphthalen-1-yl)cyclopropane-1-carbaldehyde
SMILESO=CC1(c2cccc3c(O)cccc23)CC1
InChIInChI=1S/C14H12O2/c15-9-14(7-8-14)12-5-1-4-11-10(12)3-2-6-13(11)16/h1-6,9,16H,7-8H2
InChIKeyOVZKCANQLLBIQI-UHFFFAOYSA-N
XLogP2.78
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 52.78
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-(5-hydroxynaphthalen-1-yl)cyclopropane-1-carbaldehyde?
The IUPAC name of 1-(5-hydroxynaphthalen-1-yl)cyclopropane-1-carbaldehyde (CID 105465875) is 1-(5-hydroxynaphthalen-1-yl)cyclopropane-1-carbaldehyde.
What is the SMILES notation for 1-(5-hydroxynaphthalen-1-yl)cyclopropane-1-carbaldehyde?
The canonical SMILES for 1-(5-hydroxynaphthalen-1-yl)cyclopropane-1-carbaldehyde is O=CC1(c2cccc3c(O)cccc23)CC1.
What is the InChIKey of 1-(5-hydroxynaphthalen-1-yl)cyclopropane-1-carbaldehyde?
The InChIKey is OVZKCANQLLBIQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O2/c15-9-14(7-8-14)12-5-1-4-11-10(12)3-2-6-13(11)16/h1-6,9,16H,7-8H2.
What are the key properties of 1-(5-hydroxynaphthalen-1-yl)cyclopropane-1-carbaldehyde?
1-(5-hydroxynaphthalen-1-yl)cyclopropane-1-carbaldehyde has a molecular weight of 212.25 g/mol, XLogP of 2.78, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-hydroxynaphthalen-1-yl)cyclopropane-1-carbaldehyde is sourced from PubChem (CID 105465875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).