5-hydroxy-7-propan-2-ylnaphthalene-2-carbaldehyde

C14H14O2 — CID 59942998

IUPAC5-hydroxy-7-propan-2-ylnaphthalene-2-carbaldehyde
SMILESCC(C)c1cc(O)c2ccc(C=O)cc2c1
InChIInChI=1S/C14H14O2/c1-9(2)11-6-12-5-10(8-15)3-4-13(12)14(16)7-11/h3-9,16H,1-2H3
InChIKeyDWYFNKZTZFFOLC-UHFFFAOYSA-N
MW214.26 g/mol
LogP3.48
Rot. Bonds2

About 5-hydroxy-7-propan-2-ylnaphthalene-2-carbaldehyde

5-hydroxy-7-propan-2-ylnaphthalene-2-carbaldehyde (PubChem CID 59942998) has the molecular formula C14H14O2 and a molecular weight of 214.26 g/mol. Its IUPAC name is 5-hydroxy-7-propan-2-ylnaphthalene-2-carbaldehyde.

Molecular Properties

Compound Name5-hydroxy-7-propan-2-ylnaphthalene-2-carbaldehyde
PubChem CID59942998
Molecular FormulaC14H14O2
Molecular Weight214.26 g/mol
Exact Mass214.10
IUPAC Name5-hydroxy-7-propan-2-ylnaphthalene-2-carbaldehyde
SMILESCC(C)c1cc(O)c2ccc(C=O)cc2c1
InChIInChI=1S/C14H14O2/c1-9(2)11-6-12-5-10(8-15)3-4-13(12)14(16)7-11/h3-9,16H,1-2H3
InChIKeyDWYFNKZTZFFOLC-UHFFFAOYSA-N
XLogP3.48
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 53.48
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-(6-formyl-2-hydroxynaphthalen-1-yl)-6-hydroxynaphthalene-2-carbaldehyde
CID 59034797
4-propan-2-ylbenzaldehyde
CID 326
6-(3-oxobutan-2-yl)naphthalene-2-carbaldehyde
CID 160659327
4-hydroxynaphthalene-2-carbaldehyde
CID 22498210
2-formyl-3-hydroxy-5-propan-2-ylbenzenesulfonamide
CID 89218776
naphthalene-2,6-dicarbaldehyde
CID 159038637
4-hydroxybenzaldehyde;propan-2-ol
CID 18939132
4-(4-formyl-2-hydroxyphenyl)-3-hydroxybenzaldehyde
CID 176967469
ethane;iodomethane;4-propan-2-ylbenzaldehyde
CID 145474217
5,7-difluoronaphthalene-2-carbaldehyde
CID 10845407
1,6-dimethyl-3-propan-2-ylnaphthalene
CID 54157023
5-propan-2-yl-1H-indol-7-ol
CID 137431372

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-7-propan-2-ylnaphthalene-2-carbaldehyde?
The IUPAC name of 5-hydroxy-7-propan-2-ylnaphthalene-2-carbaldehyde (CID 59942998) is 5-hydroxy-7-propan-2-ylnaphthalene-2-carbaldehyde.
What is the SMILES notation for 5-hydroxy-7-propan-2-ylnaphthalene-2-carbaldehyde?
The canonical SMILES for 5-hydroxy-7-propan-2-ylnaphthalene-2-carbaldehyde is CC(C)c1cc(O)c2ccc(C=O)cc2c1.
What is the InChIKey of 5-hydroxy-7-propan-2-ylnaphthalene-2-carbaldehyde?
The InChIKey is DWYFNKZTZFFOLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O2/c1-9(2)11-6-12-5-10(8-15)3-4-13(12)14(16)7-11/h3-9,16H,1-2H3.
What are the key properties of 5-hydroxy-7-propan-2-ylnaphthalene-2-carbaldehyde?
5-hydroxy-7-propan-2-ylnaphthalene-2-carbaldehyde has a molecular weight of 214.26 g/mol, XLogP of 3.48, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-7-propan-2-ylnaphthalene-2-carbaldehyde is sourced from PubChem (CID 59942998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).