3-chloro-2-hydroxy-5-(naphthalen-1-ylmethyl)benzaldehyde

C18H13ClO2 — CID 960764

IUPAC3-chloro-2-hydroxy-5-(naphthalen-1-ylmethyl)benzaldehyde
SMILESO=Cc1cc(Cc2cccc3ccccc23)cc(Cl)c1O
InChIInChI=1S/C18H13ClO2/c19-17-10-12(9-15(11-20)18(17)21)8-14-6-3-5-13-4-1-2-7-16(13)14/h1-7,9-11,21H,8H2
InChIKeySYEOLDXYOBLSCA-UHFFFAOYSA-N
MW296.75 g/mol
LogP4.60
Rot. Bonds3

About 3-chloro-2-hydroxy-5-(naphthalen-1-ylmethyl)benzaldehyde

3-chloro-2-hydroxy-5-(naphthalen-1-ylmethyl)benzaldehyde (PubChem CID 960764) has the molecular formula C18H13ClO2 and a molecular weight of 296.75 g/mol. Its IUPAC name is 3-chloro-2-hydroxy-5-(naphthalen-1-ylmethyl)benzaldehyde.

Molecular Properties

Compound Name3-chloro-2-hydroxy-5-(naphthalen-1-ylmethyl)benzaldehyde
PubChem CID960764
Molecular FormulaC18H13ClO2
Molecular Weight296.75 g/mol
Exact Mass296.06
IUPAC Name3-chloro-2-hydroxy-5-(naphthalen-1-ylmethyl)benzaldehyde
SMILESO=Cc1cc(Cc2cccc3ccccc23)cc(Cl)c1O
InChIInChI=1S/C18H13ClO2/c19-17-10-12(9-15(11-20)18(17)21)8-14-6-3-5-13-4-1-2-7-16(13)14/h1-7,9-11,21H,8H2
InChIKeySYEOLDXYOBLSCA-UHFFFAOYSA-N
XLogP4.60
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.75
LogP ≤ 54.60
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-(naphthalen-1-ylmethyl)benzene-1,3-diol
CID 10658318
(E)-3-(5-benzyl-3-chloro-2-hydroxyphenyl)prop-2-enal
CID 87405223
2-[[3,5-bis[(2-formylphenyl)methyl]phenyl]methyl]benzaldehyde
CID 11995210
3-benzyl-5-chloro-2-hydroxybenzaldehyde
CID 4769422
1-[(3-chlorophenyl)methyl]naphthalene
CID 173131881
3-benzyl-2-hydroxybenzaldehyde
CID 22263534
8-benzyl-2-chloroquinoline-3-carbaldehyde
CID 18524035
1-benzylnaphthalene;N-methylmethanamine
CID 70612820
2-tert-butyl-6-methyl-4-(naphthalen-1-ylmethyl)phenol
CID 20503924
1-[(4-fluorophenyl)methyl]naphthalene
CID 11118033
2-(naphthalen-1-ylmethyl)naphthalen-1-ol
CID 15617878
5-bromo-3-chloro-2-hydroxybenzaldehyde;3-chloro-2-hydroxybenzaldehyde
CID 164964246

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-hydroxy-5-(naphthalen-1-ylmethyl)benzaldehyde?
The IUPAC name of 3-chloro-2-hydroxy-5-(naphthalen-1-ylmethyl)benzaldehyde (CID 960764) is 3-chloro-2-hydroxy-5-(naphthalen-1-ylmethyl)benzaldehyde.
What is the SMILES notation for 3-chloro-2-hydroxy-5-(naphthalen-1-ylmethyl)benzaldehyde?
The canonical SMILES for 3-chloro-2-hydroxy-5-(naphthalen-1-ylmethyl)benzaldehyde is O=Cc1cc(Cc2cccc3ccccc23)cc(Cl)c1O.
What is the InChIKey of 3-chloro-2-hydroxy-5-(naphthalen-1-ylmethyl)benzaldehyde?
The InChIKey is SYEOLDXYOBLSCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClO2/c19-17-10-12(9-15(11-20)18(17)21)8-14-6-3-5-13-4-1-2-7-16(13)14/h1-7,9-11,21H,8H2.
What are the key properties of 3-chloro-2-hydroxy-5-(naphthalen-1-ylmethyl)benzaldehyde?
3-chloro-2-hydroxy-5-(naphthalen-1-ylmethyl)benzaldehyde has a molecular weight of 296.75 g/mol, XLogP of 4.60, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-hydroxy-5-(naphthalen-1-ylmethyl)benzaldehyde is sourced from PubChem (CID 960764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).