7-chloro-2-methoxy-3,4-dihydro-1H-naphthalene-2-carbaldehyde

C12H13ClO2 — CID 105482540

IUPAC7-chloro-2-methoxy-3,4-dihydro-1H-naphthalene-2-carbaldehyde
SMILESCOC1(C=O)CCc2ccc(Cl)cc2C1
InChIInChI=1S/C12H13ClO2/c1-15-12(8-14)5-4-9-2-3-11(13)6-10(9)7-12/h2-3,6,8H,4-5,7H2,1H3
InChIKeyMCDKGQHDTPYZHZ-UHFFFAOYSA-N
MW224.69 g/mol
LogP2.41
Rot. Bonds2

About 7-chloro-2-methoxy-3,4-dihydro-1H-naphthalene-2-carbaldehyde

7-chloro-2-methoxy-3,4-dihydro-1H-naphthalene-2-carbaldehyde (PubChem CID 105482540) has the molecular formula C12H13ClO2 and a molecular weight of 224.69 g/mol. Its IUPAC name is 7-chloro-2-methoxy-3,4-dihydro-1H-naphthalene-2-carbaldehyde.

Molecular Properties

Compound Name7-chloro-2-methoxy-3,4-dihydro-1H-naphthalene-2-carbaldehyde
PubChem CID105482540
Molecular FormulaC12H13ClO2
Molecular Weight224.69 g/mol
Exact Mass224.06
IUPAC Name7-chloro-2-methoxy-3,4-dihydro-1H-naphthalene-2-carbaldehyde
SMILESCOC1(C=O)CCc2ccc(Cl)cc2C1
InChIInChI=1S/C12H13ClO2/c1-15-12(8-14)5-4-9-2-3-11(13)6-10(9)7-12/h2-3,6,8H,4-5,7H2,1H3
InChIKeyMCDKGQHDTPYZHZ-UHFFFAOYSA-N
XLogP2.41
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.69
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-fluoro-2-methoxy-3,4-dihydro-1H-naphthalene-2-carbaldehyde
CID 105461602
1-(7-chloro-2-methyl-3,4-dihydro-1H-naphthalen-2-yl)-N-methylmethanamine
CID 22152368
2-(4-chloro-2-fluorophenyl)-7-methoxy-3,4-dihydro-1H-naphthalen-2-ol
CID 115510926
3-methoxy-2,4-dihydrochromene-3-carbaldehyde
CID 130631253
4-(4-chloro-2-fluorophenyl)-4-methoxycyclohexan-1-one
CID 118904905
1-(5-chloro-2-fluorophenyl)cyclobutane-1-carbaldehyde
CID 83806101
7-chloro-3,4-dihydro-1H-naphthalen-2-one
CID 4065216
ethyl (2R)-2-amino-5-chloro-1,3-dihydroindene-2-carboxylate
CID 97290484
(6-chloro-1-formyl-3,4-dihydro-2H-naphthalen-1-yl) 2-methylbenzoate
CID 175152702
7-chloro-2,2-dimethyl-3,4-dihydronaphthalen-1-one
CID 166610621
6-chloro-2,2-dimethyl-3,4-dihydronaphthalen-1-one
CID 14957672
6-chloro-1-(methoxymethyl)-3,4-dihydro-2H-naphthalen-1-amine
CID 105483573

Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-methoxy-3,4-dihydro-1H-naphthalene-2-carbaldehyde?
The IUPAC name of 7-chloro-2-methoxy-3,4-dihydro-1H-naphthalene-2-carbaldehyde (CID 105482540) is 7-chloro-2-methoxy-3,4-dihydro-1H-naphthalene-2-carbaldehyde.
What is the SMILES notation for 7-chloro-2-methoxy-3,4-dihydro-1H-naphthalene-2-carbaldehyde?
The canonical SMILES for 7-chloro-2-methoxy-3,4-dihydro-1H-naphthalene-2-carbaldehyde is COC1(C=O)CCc2ccc(Cl)cc2C1.
What is the InChIKey of 7-chloro-2-methoxy-3,4-dihydro-1H-naphthalene-2-carbaldehyde?
The InChIKey is MCDKGQHDTPYZHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClO2/c1-15-12(8-14)5-4-9-2-3-11(13)6-10(9)7-12/h2-3,6,8H,4-5,7H2,1H3.
What are the key properties of 7-chloro-2-methoxy-3,4-dihydro-1H-naphthalene-2-carbaldehyde?
7-chloro-2-methoxy-3,4-dihydro-1H-naphthalene-2-carbaldehyde has a molecular weight of 224.69 g/mol, XLogP of 2.41, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-methoxy-3,4-dihydro-1H-naphthalene-2-carbaldehyde is sourced from PubChem (CID 105482540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).