1-(hydroxymethyl)naphthalene-2-carbaldehyde

C12H10O2 — CID 21242059

IUPAC1-(hydroxymethyl)naphthalene-2-carbaldehyde
SMILESO=Cc1ccc2ccccc2c1CO
InChIInChI=1S/C12H10O2/c13-7-10-6-5-9-3-1-2-4-11(9)12(10)8-14/h1-7,14H,8H2
InChIKeyCXCYUTDDQNYKAG-UHFFFAOYSA-N
MW186.21 g/mol
LogP2.14
Rot. Bonds2

About 1-(hydroxymethyl)naphthalene-2-carbaldehyde

1-(hydroxymethyl)naphthalene-2-carbaldehyde (PubChem CID 21242059) has the molecular formula C12H10O2 and a molecular weight of 186.21 g/mol. Its IUPAC name is 1-(hydroxymethyl)naphthalene-2-carbaldehyde.

Molecular Properties

Compound Name1-(hydroxymethyl)naphthalene-2-carbaldehyde
PubChem CID21242059
Molecular FormulaC12H10O2
Molecular Weight186.21 g/mol
Exact Mass186.07
IUPAC Name1-(hydroxymethyl)naphthalene-2-carbaldehyde
SMILESO=Cc1ccc2ccccc2c1CO
InChIInChI=1S/C12H10O2/c13-7-10-6-5-9-3-1-2-4-11(9)12(10)8-14/h1-7,14H,8H2
InChIKeyCXCYUTDDQNYKAG-UHFFFAOYSA-N
XLogP2.14
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 52.14
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

phenanthrene-2,3-dicarbaldehyde
CID 10466547
1-(4-hydroxybut-1-enyl)naphthalene-2-carbaldehyde
CID 170477329
naphthalene-1-carbaldehyde;zinc
CID 88790891
naphthalene-1-carbaldehyde;hydroiodide
CID 172736279
benzo[f]quinoline-3-carbaldehyde
CID 102020467
phenanthrene;phosphinous acid
CID 174826862
1-(3-bromoprop-1-enyl)naphthalene-2-carbaldehyde
CID 169476208
chrysene-1,2,3-tricarbaldehyde
CID 141144423
3-ethyl-2-(hydroxymethyl)benzaldehyde
CID 131495774
1-phenyldiazenylnaphthalene-2-carbaldehyde;1-phenyldiazenylnaphthalen-2-ol
CID 159712546
phenanthrene;phosphane
CID 161431298
phenanthrene;sulfane
CID 159172584

Frequently Asked Questions

What is the IUPAC name of 1-(hydroxymethyl)naphthalene-2-carbaldehyde?
The IUPAC name of 1-(hydroxymethyl)naphthalene-2-carbaldehyde (CID 21242059) is 1-(hydroxymethyl)naphthalene-2-carbaldehyde.
What is the SMILES notation for 1-(hydroxymethyl)naphthalene-2-carbaldehyde?
The canonical SMILES for 1-(hydroxymethyl)naphthalene-2-carbaldehyde is O=Cc1ccc2ccccc2c1CO.
What is the InChIKey of 1-(hydroxymethyl)naphthalene-2-carbaldehyde?
The InChIKey is CXCYUTDDQNYKAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10O2/c13-7-10-6-5-9-3-1-2-4-11(9)12(10)8-14/h1-7,14H,8H2.
What are the key properties of 1-(hydroxymethyl)naphthalene-2-carbaldehyde?
1-(hydroxymethyl)naphthalene-2-carbaldehyde has a molecular weight of 186.21 g/mol, XLogP of 2.14, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(hydroxymethyl)naphthalene-2-carbaldehyde is sourced from PubChem (CID 21242059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).