4-(hydroxymethyl)naphthalene-1-carbonyl chloride

C12H9ClO2 — CID 118835402

IUPAC4-(hydroxymethyl)naphthalene-1-carbonyl chloride
SMILESO=C(Cl)c1ccc(CO)c2ccccc12
InChIInChI=1S/C12H9ClO2/c13-12(15)11-6-5-8(7-14)9-3-1-2-4-10(9)11/h1-6,14H,7H2
InChIKeyGAZYZHLMCZZPAU-UHFFFAOYSA-N
MW220.66 g/mol
LogP2.71
Rot. Bonds2

About 4-(hydroxymethyl)naphthalene-1-carbonyl chloride

4-(hydroxymethyl)naphthalene-1-carbonyl chloride (PubChem CID 118835402) has the molecular formula C12H9ClO2 and a molecular weight of 220.66 g/mol. Its IUPAC name is 4-(hydroxymethyl)naphthalene-1-carbonyl chloride.

Molecular Properties

Compound Name4-(hydroxymethyl)naphthalene-1-carbonyl chloride
PubChem CID118835402
Molecular FormulaC12H9ClO2
Molecular Weight220.66 g/mol
Exact Mass220.03
IUPAC Name4-(hydroxymethyl)naphthalene-1-carbonyl chloride
SMILESO=C(Cl)c1ccc(CO)c2ccccc12
InChIInChI=1S/C12H9ClO2/c13-12(15)11-6-5-8(7-14)9-3-1-2-4-10(9)11/h1-6,14H,7H2
InChIKeyGAZYZHLMCZZPAU-UHFFFAOYSA-N
XLogP2.71
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.66
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

chrysene-6,12-dicarbonyl chloride
CID 139611944
naphthalene-1,4,5-tricarbonyl chloride
CID 139807498
anthracene-1,4-dicarbonyl chloride
CID 21424527
2-[4-(2-hydroxyethyl)naphthalen-1-yl]ethanol
CID 12582392
1-(trifluoromethoxy)naphthalene-2-carbonyl chloride
CID 166641127
7-(hydroxymethyl)-3H-benzimidazole-4-carbonyl chloride
CID 130780335
4-(4-hydroxybutyl)naphthalene-1-carboxamide
CID 90789019
2-(naphthalen-1-ylamino)benzoyl chloride
CID 54450707
benzene-1,2-dicarbonyl chloride;thiohypochlorous acid
CID 172771249
ethenoxyethene;[4-(hydroxymethyl)naphthalen-1-yl]methanol
CID 118354681
2-(aminomethyl)benzoyl chloride
CID 82503183
(4-prop-2-enylnaphthalen-1-yl)methanol
CID 177415182

Frequently Asked Questions

What is the IUPAC name of 4-(hydroxymethyl)naphthalene-1-carbonyl chloride?
The IUPAC name of 4-(hydroxymethyl)naphthalene-1-carbonyl chloride (CID 118835402) is 4-(hydroxymethyl)naphthalene-1-carbonyl chloride.
What is the SMILES notation for 4-(hydroxymethyl)naphthalene-1-carbonyl chloride?
The canonical SMILES for 4-(hydroxymethyl)naphthalene-1-carbonyl chloride is O=C(Cl)c1ccc(CO)c2ccccc12.
What is the InChIKey of 4-(hydroxymethyl)naphthalene-1-carbonyl chloride?
The InChIKey is GAZYZHLMCZZPAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClO2/c13-12(15)11-6-5-8(7-14)9-3-1-2-4-10(9)11/h1-6,14H,7H2.
What are the key properties of 4-(hydroxymethyl)naphthalene-1-carbonyl chloride?
4-(hydroxymethyl)naphthalene-1-carbonyl chloride has a molecular weight of 220.66 g/mol, XLogP of 2.71, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroxymethyl)naphthalene-1-carbonyl chloride is sourced from PubChem (CID 118835402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).