methyl 2-(7-methoxy-1,6-dimethyl-3,4-dihydro-2H-naphthalen-1-yl)acetate

C16H22O3 — CID 11139929

IUPACmethyl 2-(7-methoxy-1,6-dimethyl-3,4-dihydro-2H-naphthalen-1-yl)acetate
SMILESCOC(=O)CC1(C)CCCc2cc(C)c(OC)cc21
InChIInChI=1S/C16H22O3/c1-11-8-12-6-5-7-16(2,10-15(17)19-4)13(12)9-14(11)18-3/h8-9H,5-7,10H2,1-4H3
InChIKeyNBSSUOKSUDHHCU-UHFFFAOYSA-N
MW262.35 g/mol
LogP3.16
Rot. Bonds3

About methyl 2-(7-methoxy-1,6-dimethyl-3,4-dihydro-2H-naphthalen-1-yl)acetate

methyl 2-(7-methoxy-1,6-dimethyl-3,4-dihydro-2H-naphthalen-1-yl)acetate (PubChem CID 11139929) has the molecular formula C16H22O3 and a molecular weight of 262.35 g/mol. Its IUPAC name is methyl 2-(7-methoxy-1,6-dimethyl-3,4-dihydro-2H-naphthalen-1-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(7-methoxy-1,6-dimethyl-3,4-dihydro-2H-naphthalen-1-yl)acetate
PubChem CID11139929
Molecular FormulaC16H22O3
Molecular Weight262.35 g/mol
Exact Mass262.16
IUPAC Namemethyl 2-(7-methoxy-1,6-dimethyl-3,4-dihydro-2H-naphthalen-1-yl)acetate
SMILESCOC(=O)CC1(C)CCCc2cc(C)c(OC)cc21
InChIInChI=1S/C16H22O3/c1-11-8-12-6-5-7-16(2,10-15(17)19-4)13(12)9-14(11)18-3/h8-9H,5-7,10H2,1-4H3
InChIKeyNBSSUOKSUDHHCU-UHFFFAOYSA-N
XLogP3.16
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-methoxy-4,4,7-trimethyl-2,3-dihydro-1H-naphthalene
CID 22218219
ethyl 2-(6-methoxy-1-methyl-3,4-dihydro-2H-naphthalen-1-yl)acetate
CID 101340155
methyl 2-[(1R)-5-cyano-1-methyl-2,3-dihydroinden-1-yl]acetate
CID 154430640
methyl 2-[3-(4-methoxy-2,5-dimethylphenyl)oxetan-3-yl]acetate
CID 116873446
2-[1-(2-hydroxy-5-methoxy-4-methylphenyl)cyclopropyl]acetic acid
CID 117344693
methyl 2-[1-(ethylamino)-6-methoxy-3,4-dihydro-2H-naphthalen-1-yl]acetate
CID 65234712
[(1S,4aR,10aR)-6-methoxy-1,4a,7-trimethyl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl]methanol
CID 95561924
ethane;3-methoxy-5,5-dimethyl-7,8-dihydro-6H-naphthalen-2-ol
CID 142271097
N-(4-but-3-enyl-1,3-thiazol-2-yl)-2-[(1R)-7-hydroxy-6-methoxy-1-methyl-3,4-dihydro-2H-naphthalen-1-yl]acetamide
CID 161130781
2-[1-(aminomethyl)cyclohexyl]-4-methoxy-5-methylphenol
CID 117377399
methyl 2-[1-(2,6-dimethoxy-4-methylphenoxy)cyclobutyl]acetate
CID 103272609
N-[4-(2-(19F)fluoroethylamino)-2,6-dimethoxyphenyl]-5-[(3,3,6-trimethyl-1,2-dihydroinden-5-yl)oxy]furan-2-carboxamide
CID 86293113

Frequently Asked Questions

What is the IUPAC name of methyl 2-(7-methoxy-1,6-dimethyl-3,4-dihydro-2H-naphthalen-1-yl)acetate?
The IUPAC name of methyl 2-(7-methoxy-1,6-dimethyl-3,4-dihydro-2H-naphthalen-1-yl)acetate (CID 11139929) is methyl 2-(7-methoxy-1,6-dimethyl-3,4-dihydro-2H-naphthalen-1-yl)acetate.
What is the SMILES notation for methyl 2-(7-methoxy-1,6-dimethyl-3,4-dihydro-2H-naphthalen-1-yl)acetate?
The canonical SMILES for methyl 2-(7-methoxy-1,6-dimethyl-3,4-dihydro-2H-naphthalen-1-yl)acetate is COC(=O)CC1(C)CCCc2cc(C)c(OC)cc21.
What is the InChIKey of methyl 2-(7-methoxy-1,6-dimethyl-3,4-dihydro-2H-naphthalen-1-yl)acetate?
The InChIKey is NBSSUOKSUDHHCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O3/c1-11-8-12-6-5-7-16(2,10-15(17)19-4)13(12)9-14(11)18-3/h8-9H,5-7,10H2,1-4H3.
What are the key properties of methyl 2-(7-methoxy-1,6-dimethyl-3,4-dihydro-2H-naphthalen-1-yl)acetate?
methyl 2-(7-methoxy-1,6-dimethyl-3,4-dihydro-2H-naphthalen-1-yl)acetate has a molecular weight of 262.35 g/mol, XLogP of 3.16, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(7-methoxy-1,6-dimethyl-3,4-dihydro-2H-naphthalen-1-yl)acetate is sourced from PubChem (CID 11139929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).