(1R)-6,7-dimethoxy-1-[2-(2,5,5-trimethyl-1,3-dioxan-2-yl)ethyl]-3,4-dihydro-2H-naphthalen-1-ol

C21H32O5 — CID 11081621

IUPAC(1R)-6,7-dimethoxy-1-[2-(2,5,5-trimethyl-1,3-dioxan-2-yl)ethyl]-3,4-dihydro-2H-naphthalen-1-ol
SMILESCOc1cc2c(cc1OC)[C@](O)(CCC1(C)OCC(C)(C)CO1)CCC2
InChIInChI=1S/C21H32O5/c1-19(2)13-25-20(3,26-14-19)9-10-21(22)8-6-7-15-11-17(23-4)18(24-5)12-16(15)21/h11-12,22H,6-10,13-14H2,1-5H3/t21-/m1/s1
InChIKeyWIDSMRDRMODNQR-OAQYLSRUSA-N
MW364.48 g/mol
LogP3.80
Rot. Bonds5

About (1R)-6,7-dimethoxy-1-[2-(2,5,5-trimethyl-1,3-dioxan-2-yl)ethyl]-3,4-dihydro-2H-naphthalen-1-ol

(1R)-6,7-dimethoxy-1-[2-(2,5,5-trimethyl-1,3-dioxan-2-yl)ethyl]-3,4-dihydro-2H-naphthalen-1-ol (PubChem CID 11081621) has the molecular formula C21H32O5 and a molecular weight of 364.48 g/mol. Its IUPAC name is (1R)-6,7-dimethoxy-1-[2-(2,5,5-trimethyl-1,3-dioxan-2-yl)ethyl]-3,4-dihydro-2H-naphthalen-1-ol.

Molecular Properties

Compound Name(1R)-6,7-dimethoxy-1-[2-(2,5,5-trimethyl-1,3-dioxan-2-yl)ethyl]-3,4-dihydro-2H-naphthalen-1-ol
PubChem CID11081621
Molecular FormulaC21H32O5
Molecular Weight364.48 g/mol
Exact Mass364.22
IUPAC Name(1R)-6,7-dimethoxy-1-[2-(2,5,5-trimethyl-1,3-dioxan-2-yl)ethyl]-3,4-dihydro-2H-naphthalen-1-ol
SMILESCOc1cc2c(cc1OC)[C@](O)(CCC1(C)OCC(C)(C)CO1)CCC2
InChIInChI=1S/C21H32O5/c1-19(2)13-25-20(3,26-14-19)9-10-21(22)8-6-7-15-11-17(23-4)18(24-5)12-16(15)21/h11-12,22H,6-10,13-14H2,1-5H3/t21-/m1/s1
InChIKeyWIDSMRDRMODNQR-OAQYLSRUSA-N
XLogP3.80
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.48
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-aminoethyl)-5,6-dimethoxy-2,3-dihydroinden-1-ol
CID 82388999
ethane;3-methoxy-5,5-dimethyl-7,8-dihydro-6H-naphthalen-2-ol
CID 142271097
1-butyl-7-methoxy-3,4-dihydro-2H-naphthalen-1-ol
CID 102290359
6,7-dimethoxy-1-(2-methoxyphenyl)-3,4-dihydroisochromen-1-ol
CID 86098098
1-(4-chlorobutan-2-yl)-7,8-dimethoxy-1-methyl-4,5-dihydro-3H-2-benzoxepine
CID 20522804
6-methoxy-4,4,7-trimethyl-2,3-dihydro-1H-naphthalene
CID 22218219
5',6',14',15'-tetramethoxy-5,5-dimethylspiro[1,3-dioxane-2,19'-tetracyclo[8.8.1.03,8.012,17]nonadeca-3,5,7,12,14,16-hexaene]
CID 139038251
methyl 2-(7-methoxy-1,6-dimethyl-3,4-dihydro-2H-naphthalen-1-yl)acetate
CID 11139929
(1S)-1-(4-chlorophenyl)-6,7-dimethoxy-1-methyl-3,4-dihydroisochromene
CID 129364206
6,7-dimethoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]
CID 21423163
1-(methoxymethyl)-6-methyl-3,4-dihydro-2H-naphthalen-1-ol
CID 105459157
2-(4-fluorophenyl)-N-[(1-hydroxy-5,6-dimethoxy-2,3-dihydroinden-1-yl)methyl]acetamide
CID 110294576

Frequently Asked Questions

What is the IUPAC name of (1R)-6,7-dimethoxy-1-[2-(2,5,5-trimethyl-1,3-dioxan-2-yl)ethyl]-3,4-dihydro-2H-naphthalen-1-ol?
The IUPAC name of (1R)-6,7-dimethoxy-1-[2-(2,5,5-trimethyl-1,3-dioxan-2-yl)ethyl]-3,4-dihydro-2H-naphthalen-1-ol (CID 11081621) is (1R)-6,7-dimethoxy-1-[2-(2,5,5-trimethyl-1,3-dioxan-2-yl)ethyl]-3,4-dihydro-2H-naphthalen-1-ol.
What is the SMILES notation for (1R)-6,7-dimethoxy-1-[2-(2,5,5-trimethyl-1,3-dioxan-2-yl)ethyl]-3,4-dihydro-2H-naphthalen-1-ol?
The canonical SMILES for (1R)-6,7-dimethoxy-1-[2-(2,5,5-trimethyl-1,3-dioxan-2-yl)ethyl]-3,4-dihydro-2H-naphthalen-1-ol is COc1cc2c(cc1OC)[C@](O)(CCC1(C)OCC(C)(C)CO1)CCC2.
What is the InChIKey of (1R)-6,7-dimethoxy-1-[2-(2,5,5-trimethyl-1,3-dioxan-2-yl)ethyl]-3,4-dihydro-2H-naphthalen-1-ol?
The InChIKey is WIDSMRDRMODNQR-OAQYLSRUSA-N. The full InChI is InChI=1S/C21H32O5/c1-19(2)13-25-20(3,26-14-19)9-10-21(22)8-6-7-15-11-17(23-4)18(24-5)12-16(15)21/h11-12,22H,6-10,13-14H2,1-5H3/t21-/m1/s1.
What are the key properties of (1R)-6,7-dimethoxy-1-[2-(2,5,5-trimethyl-1,3-dioxan-2-yl)ethyl]-3,4-dihydro-2H-naphthalen-1-ol?
(1R)-6,7-dimethoxy-1-[2-(2,5,5-trimethyl-1,3-dioxan-2-yl)ethyl]-3,4-dihydro-2H-naphthalen-1-ol has a molecular weight of 364.48 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-6,7-dimethoxy-1-[2-(2,5,5-trimethyl-1,3-dioxan-2-yl)ethyl]-3,4-dihydro-2H-naphthalen-1-ol is sourced from PubChem (CID 11081621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).