1-chloro-6,7-diethoxy-4-methyl-1,2,3,4-tetrahydronaphthalene

C15H21ClO2 — CID 113305881

IUPAC1-chloro-6,7-diethoxy-4-methyl-1,2,3,4-tetrahydronaphthalene
SMILESCCOc1cc2c(cc1OCC)C(Cl)CCC2C
InChIInChI=1S/C15H21ClO2/c1-4-17-14-8-11-10(3)6-7-13(16)12(11)9-15(14)18-5-2/h8-10,13H,4-7H2,1-3H3
InChIKeyDDCNOMMNVPTXFM-UHFFFAOYSA-N
MW268.78 g/mol
LogP4.66
Rot. Bonds4

About 1-chloro-6,7-diethoxy-4-methyl-1,2,3,4-tetrahydronaphthalene

1-chloro-6,7-diethoxy-4-methyl-1,2,3,4-tetrahydronaphthalene (PubChem CID 113305881) has the molecular formula C15H21ClO2 and a molecular weight of 268.78 g/mol. Its IUPAC name is 1-chloro-6,7-diethoxy-4-methyl-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Name1-chloro-6,7-diethoxy-4-methyl-1,2,3,4-tetrahydronaphthalene
PubChem CID113305881
Molecular FormulaC15H21ClO2
Molecular Weight268.78 g/mol
Exact Mass268.12
IUPAC Name1-chloro-6,7-diethoxy-4-methyl-1,2,3,4-tetrahydronaphthalene
SMILESCCOc1cc2c(cc1OCC)C(Cl)CCC2C
InChIInChI=1S/C15H21ClO2/c1-4-17-14-8-11-10(3)6-7-13(16)12(11)9-15(14)18-5-2/h8-10,13H,4-7H2,1-3H3
InChIKeyDDCNOMMNVPTXFM-UHFFFAOYSA-N
XLogP4.66
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.78
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1S)-6,7-diethoxy-4-methyl-1,2,3,4-tetrahydronaphthalen-1-ol
CID 113305848
6,7-diethoxy-N,4-dimethyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115417576
(1S)-4-methyl-6,7-dipropoxy-1,2,3,4-tetrahydronaphthalen-1-ol
CID 115417778
(1S)-6,7-diethoxy-1-methyl-1,2,3,4-tetrahydroisoquinoline
CID 7157327
5,6,12,13,19,20-hexaethoxytetracyclo[15.4.0.03,8.010,15]henicosa-1(21),3,5,7,10,12,14,17,19-nonaene
CID 4918984
4-(bromomethyl)-2-ethoxy-1-(4-methylcyclohexyl)oxybenzene
CID 64747736
3-methoxy-5,8-dimethyl-5,6,7,8-tetrahydronaphthalen-2-ol
CID 163922079
(1R)-7-ethoxy-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115417533
5-chloro-7-methyl-2,3-dipropoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulene
CID 63513543
1-chloro-5,8-diethyl-4-methyl-1,2,3,4-tetrahydronaphthalene
CID 115418044
1-(1-bromo-2-cyclopropylethyl)-2-chloro-4,5-diethoxybenzene
CID 63444637
6,7-diethoxy-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 55109039

Frequently Asked Questions

What is the IUPAC name of 1-chloro-6,7-diethoxy-4-methyl-1,2,3,4-tetrahydronaphthalene?
The IUPAC name of 1-chloro-6,7-diethoxy-4-methyl-1,2,3,4-tetrahydronaphthalene (CID 113305881) is 1-chloro-6,7-diethoxy-4-methyl-1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for 1-chloro-6,7-diethoxy-4-methyl-1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for 1-chloro-6,7-diethoxy-4-methyl-1,2,3,4-tetrahydronaphthalene is CCOc1cc2c(cc1OCC)C(Cl)CCC2C.
What is the InChIKey of 1-chloro-6,7-diethoxy-4-methyl-1,2,3,4-tetrahydronaphthalene?
The InChIKey is DDCNOMMNVPTXFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClO2/c1-4-17-14-8-11-10(3)6-7-13(16)12(11)9-15(14)18-5-2/h8-10,13H,4-7H2,1-3H3.
What are the key properties of 1-chloro-6,7-diethoxy-4-methyl-1,2,3,4-tetrahydronaphthalene?
1-chloro-6,7-diethoxy-4-methyl-1,2,3,4-tetrahydronaphthalene has a molecular weight of 268.78 g/mol, XLogP of 4.66, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-6,7-diethoxy-4-methyl-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 113305881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).