7-methoxy-3-[(5-methoxy-2-methylphenyl)methyl]-3-methyl-2,4-dihydro-1H-naphthalene

C21H26O2 — CID 142144693

IUPAC7-methoxy-3-[(5-methoxy-2-methylphenyl)methyl]-3-methyl-2,4-dihydro-1H-naphthalene
SMILESCOc1ccc(C)c(CC2(C)CCc3cc(OC)ccc3C2)c1
InChIInChI=1S/C21H26O2/c1-15-5-7-19(22-3)12-18(15)14-21(2)10-9-16-11-20(23-4)8-6-17(16)13-21/h5-8,11-12H,9-10,13-14H2,1-4H3
InChIKeyOCWZIOOHBQEFAO-UHFFFAOYSA-N
MW310.44 g/mol
LogP4.75
Rot. Bonds4

About 7-methoxy-3-[(5-methoxy-2-methylphenyl)methyl]-3-methyl-2,4-dihydro-1H-naphthalene

7-methoxy-3-[(5-methoxy-2-methylphenyl)methyl]-3-methyl-2,4-dihydro-1H-naphthalene (PubChem CID 142144693) has the molecular formula C21H26O2 and a molecular weight of 310.44 g/mol. Its IUPAC name is 7-methoxy-3-[(5-methoxy-2-methylphenyl)methyl]-3-methyl-2,4-dihydro-1H-naphthalene.

Molecular Properties

Compound Name7-methoxy-3-[(5-methoxy-2-methylphenyl)methyl]-3-methyl-2,4-dihydro-1H-naphthalene
PubChem CID142144693
Molecular FormulaC21H26O2
Molecular Weight310.44 g/mol
Exact Mass310.19
IUPAC Name7-methoxy-3-[(5-methoxy-2-methylphenyl)methyl]-3-methyl-2,4-dihydro-1H-naphthalene
SMILESCOc1ccc(C)c(CC2(C)CCc3cc(OC)ccc3C2)c1
InChIInChI=1S/C21H26O2/c1-15-5-7-19(22-3)12-18(15)14-21(2)10-9-16-11-20(23-4)8-6-17(16)13-21/h5-8,11-12H,9-10,13-14H2,1-4H3
InChIKeyOCWZIOOHBQEFAO-UHFFFAOYSA-N
XLogP4.75
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(6-methoxy-2-methyl-3,4-dihydro-1H-naphthalen-2-yl)-N-methylmethanamine
CID 22152309
3-[(2-bromo-5-methoxyphenyl)methyl]-3-methylcyclopentan-1-one
CID 116538441
2-methoxyspiro[5,7,8,9-tetrahydrobenzo[7]annulene-6,1'-cyclopropane]
CID 143815719
2-(hydroxymethyl)-6-methoxy-3,4-dihydro-1H-naphthalen-2-ol
CID 105461731
(2,6-dimethoxy-3,4-dihydro-1H-naphthalen-2-yl)methanol
CID 105479196
5-methoxy-2-methyl-1,3-dihydroinden-2-amine
CID 84717968
6-methoxy-3,3-dimethyl-1,2-dihydroindene
CID 22152285
butane;ethane;2-ethyl-4-methoxy-1-methylbenzene
CID 178178141
7-methoxy-1-[(2-methylphenyl)methyl]-3,4-dihydro-2H-naphthalen-1-amine
CID 79233838
ethane;6-methoxy-4,4-dimethyl-2,3-dihydro-1H-naphthalene
CID 143044836
7-methoxy-2-methyl-3,4-dihydro-1H-naphthalen-2-amine
CID 84719792
3-fluoro-6-methoxy-3-methyl-1,2-dihydroindene
CID 84718386

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-3-[(5-methoxy-2-methylphenyl)methyl]-3-methyl-2,4-dihydro-1H-naphthalene?
The IUPAC name of 7-methoxy-3-[(5-methoxy-2-methylphenyl)methyl]-3-methyl-2,4-dihydro-1H-naphthalene (CID 142144693) is 7-methoxy-3-[(5-methoxy-2-methylphenyl)methyl]-3-methyl-2,4-dihydro-1H-naphthalene.
What is the SMILES notation for 7-methoxy-3-[(5-methoxy-2-methylphenyl)methyl]-3-methyl-2,4-dihydro-1H-naphthalene?
The canonical SMILES for 7-methoxy-3-[(5-methoxy-2-methylphenyl)methyl]-3-methyl-2,4-dihydro-1H-naphthalene is COc1ccc(C)c(CC2(C)CCc3cc(OC)ccc3C2)c1.
What is the InChIKey of 7-methoxy-3-[(5-methoxy-2-methylphenyl)methyl]-3-methyl-2,4-dihydro-1H-naphthalene?
The InChIKey is OCWZIOOHBQEFAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26O2/c1-15-5-7-19(22-3)12-18(15)14-21(2)10-9-16-11-20(23-4)8-6-17(16)13-21/h5-8,11-12H,9-10,13-14H2,1-4H3.
What are the key properties of 7-methoxy-3-[(5-methoxy-2-methylphenyl)methyl]-3-methyl-2,4-dihydro-1H-naphthalene?
7-methoxy-3-[(5-methoxy-2-methylphenyl)methyl]-3-methyl-2,4-dihydro-1H-naphthalene has a molecular weight of 310.44 g/mol, XLogP of 4.75, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-3-[(5-methoxy-2-methylphenyl)methyl]-3-methyl-2,4-dihydro-1H-naphthalene is sourced from PubChem (CID 142144693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).