1-(6-hydroxynaphthalen-1-yl)cyclopropane-1-carbaldehyde

C14H12O2 — CID 105465874

IUPAC1-(6-hydroxynaphthalen-1-yl)cyclopropane-1-carbaldehyde
SMILESO=CC1(c2cccc3cc(O)ccc23)CC1
InChIInChI=1S/C14H12O2/c15-9-14(6-7-14)13-3-1-2-10-8-11(16)4-5-12(10)13/h1-5,8-9,16H,6-7H2
InChIKeyZEZAMLGKCSPECW-UHFFFAOYSA-N
MW212.25 g/mol
LogP2.78
Rot. Bonds2

About 1-(6-hydroxynaphthalen-1-yl)cyclopropane-1-carbaldehyde

1-(6-hydroxynaphthalen-1-yl)cyclopropane-1-carbaldehyde (PubChem CID 105465874) has the molecular formula C14H12O2 and a molecular weight of 212.25 g/mol. Its IUPAC name is 1-(6-hydroxynaphthalen-1-yl)cyclopropane-1-carbaldehyde.

Molecular Properties

Compound Name1-(6-hydroxynaphthalen-1-yl)cyclopropane-1-carbaldehyde
PubChem CID105465874
Molecular FormulaC14H12O2
Molecular Weight212.25 g/mol
Exact Mass212.08
IUPAC Name1-(6-hydroxynaphthalen-1-yl)cyclopropane-1-carbaldehyde
SMILESO=CC1(c2cccc3cc(O)ccc23)CC1
InChIInChI=1S/C14H12O2/c15-9-14(6-7-14)13-3-1-2-10-8-11(16)4-5-12(10)13/h1-5,8-9,16H,6-7H2
InChIKeyZEZAMLGKCSPECW-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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Related Compounds

5-(1-aminocyclobutyl)naphthalen-2-ol
CID 105466837
1-(5-hydroxynaphthalen-1-yl)cyclopropane-1-carbaldehyde
CID 105465875
1-naphthalen-1-ylcyclopentane-1-carbaldehyde
CID 86726004
1-(7-hydroxynaphthalen-2-yl)cyclobutane-1-carbaldehyde
CID 105483878
5-(4,4-dimethyl-2,6,7-trioxabicyclo[3.2.0]heptan-1-yl)naphthalen-2-ol
CID 102187430
5-[(6-hydroxynaphthalen-1-yl)methyl]naphthalen-2-ol
CID 153324996
1-(3-ethoxy-2-methoxyphenyl)cyclopropane-1-carbaldehyde
CID 105475572
N-(1-naphthalen-1-ylcyclopropyl)formamide
CID 174193141
4-(2-hydroxyphenyl)-1-methylpiperidine-4-carbaldehyde
CID 88542986
5-methylsulfanylnaphthalen-2-ol
CID 130033798
5-propan-2-ylnaphthalen-2-ol
CID 19011144
5-(methylamino)naphthalen-2-ol
CID 74890550

Frequently Asked Questions

What is the IUPAC name of 1-(6-hydroxynaphthalen-1-yl)cyclopropane-1-carbaldehyde?
The IUPAC name of 1-(6-hydroxynaphthalen-1-yl)cyclopropane-1-carbaldehyde (CID 105465874) is 1-(6-hydroxynaphthalen-1-yl)cyclopropane-1-carbaldehyde.
What is the SMILES notation for 1-(6-hydroxynaphthalen-1-yl)cyclopropane-1-carbaldehyde?
The canonical SMILES for 1-(6-hydroxynaphthalen-1-yl)cyclopropane-1-carbaldehyde is O=CC1(c2cccc3cc(O)ccc23)CC1.
What is the InChIKey of 1-(6-hydroxynaphthalen-1-yl)cyclopropane-1-carbaldehyde?
The InChIKey is ZEZAMLGKCSPECW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O2/c15-9-14(6-7-14)13-3-1-2-10-8-11(16)4-5-12(10)13/h1-5,8-9,16H,6-7H2.
What are the key properties of 1-(6-hydroxynaphthalen-1-yl)cyclopropane-1-carbaldehyde?
1-(6-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-(6-hydroxynaphthalen-1-yl)cyclopropane-1-carbaldehyde is sourced from PubChem (CID 105465874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).