6-methylnaphthalene-2-carbaldehyde

C12H10O — CID 6452268

IUPAC6-methylnaphthalene-2-carbaldehyde
SMILESCc1ccc2cc(C=O)ccc2c1
InChIInChI=1S/C12H10O/c1-9-2-4-12-7-10(8-13)3-5-11(12)6-9/h2-8H,1H3
InChIKeyWWIKFXPBGKBXLZ-UHFFFAOYSA-N
MW170.21 g/mol
LogP2.96
Rot. Bonds1

About 6-methylnaphthalene-2-carbaldehyde

6-methylnaphthalene-2-carbaldehyde (PubChem CID 6452268) has the molecular formula C12H10O and a molecular weight of 170.21 g/mol. Its IUPAC name is 6-methylnaphthalene-2-carbaldehyde.

Molecular Properties

Compound Name6-methylnaphthalene-2-carbaldehyde
PubChem CID6452268
Molecular FormulaC12H10O
Molecular Weight170.21 g/mol
Exact Mass170.07
IUPAC Name6-methylnaphthalene-2-carbaldehyde
SMILESCc1ccc2cc(C=O)ccc2c1
InChIInChI=1S/C12H10O/c1-9-2-4-12-7-10(8-13)3-5-11(12)6-9/h2-8H,1H3
InChIKeyWWIKFXPBGKBXLZ-UHFFFAOYSA-N
XLogP2.96
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

6-methylanthracene-2-carbaldehyde
CID 156805593
naphthalene-2,6-dicarbaldehyde
CID 159038637
2,6-dimethylnaphthalene;6-formylnaphthalene-2-carboxylic acid;6-(hydroxymethyl)naphthalene-2-carboxylic acid;6-methylnaphthalene-2-carbaldehyde;6-methylnaphthalene-2-carboxylic acid;(6-methylnaphthalen-2-yl)methanol;naphthalene-2,6-dicarboxylic acid
CID 173237128
2-methyl-7-[(E)-2-(7-methylnaphthalen-2-yl)ethenyl]naphthalene
CID 6109061
4-methylbenzoic acid;naphthalene-2-carbaldehyde
CID 88811859
N-methylmethanamine;naphthalene-2-carbaldehyde
CID 174771308
(E)-3-(6-methylnaphthalen-2-yl)prop-2-enoic acid
CID 116866093
6-[(6-formylnaphthalen-2-yl)-dimethylsilyl]naphthalene-2-carbaldehyde
CID 166514383
2,9-dimethylpentacene
CID 11460950
ethanamine;naphthalene-2-carbaldehyde
CID 143882987
2-methyl-6-[2-[4-[4-[2-(6-methylnaphthalen-2-yl)ethenyl]phenoxy]phenyl]ethenyl]naphthalene
CID 72543287
sodium;hydride;4-methylbenzaldehyde
CID 173013137

Frequently Asked Questions

What is the IUPAC name of 6-methylnaphthalene-2-carbaldehyde?
The IUPAC name of 6-methylnaphthalene-2-carbaldehyde (CID 6452268) is 6-methylnaphthalene-2-carbaldehyde.
What is the SMILES notation for 6-methylnaphthalene-2-carbaldehyde?
The canonical SMILES for 6-methylnaphthalene-2-carbaldehyde is Cc1ccc2cc(C=O)ccc2c1.
What is the InChIKey of 6-methylnaphthalene-2-carbaldehyde?
The InChIKey is WWIKFXPBGKBXLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10O/c1-9-2-4-12-7-10(8-13)3-5-11(12)6-9/h2-8H,1H3.
What are the key properties of 6-methylnaphthalene-2-carbaldehyde?
6-methylnaphthalene-2-carbaldehyde has a molecular weight of 170.21 g/mol, XLogP of 2.96, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylnaphthalene-2-carbaldehyde is sourced from PubChem (CID 6452268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).