1-(7-methoxynaphthalen-1-yl)adamantane

C21H24O — CID 173329758

IUPAC1-(7-methoxynaphthalen-1-yl)adamantane
SMILESCOc1ccc2cccc(C34CC5CC(CC(C5)C3)C4)c2c1
InChIInChI=1S/C21H24O/c1-22-18-6-5-17-3-2-4-20(19(17)10-18)21-11-14-7-15(12-21)9-16(8-14)13-21/h2-6,10,14-16H,7-9,11-13H2,1H3
InChIKeyFTQSTZJLUYPHPM-UHFFFAOYSA-N
MW292.42 g/mol
LogP5.32
Rot. Bonds2

About 1-(7-methoxynaphthalen-1-yl)adamantane

1-(7-methoxynaphthalen-1-yl)adamantane (PubChem CID 173329758) has the molecular formula C21H24O and a molecular weight of 292.42 g/mol. Its IUPAC name is 1-(7-methoxynaphthalen-1-yl)adamantane.

Molecular Properties

Compound Name1-(7-methoxynaphthalen-1-yl)adamantane
PubChem CID173329758
Molecular FormulaC21H24O
Molecular Weight292.42 g/mol
Exact Mass292.18
IUPAC Name1-(7-methoxynaphthalen-1-yl)adamantane
SMILESCOc1ccc2cccc(C34CC5CC(CC(C5)C3)C4)c2c1
InChIInChI=1S/C21H24O/c1-22-18-6-5-17-3-2-4-20(19(17)10-18)21-11-14-7-15(12-21)9-16(8-14)13-21/h2-6,10,14-16H,7-9,11-13H2,1H3
InChIKeyFTQSTZJLUYPHPM-UHFFFAOYSA-N
XLogP5.32
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.42
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(7-methoxynaphthalen-1-yl)cyclopropane-1-carbaldehyde
CID 105483868
1-(3-methoxyphenyl)adamantane
CID 54036220
4,9-bis(1-adamantyl)-1-N,3-N,6-N,8-N-tetrakis(4-methoxyphenyl)-1-N,3-N,6-N,8-N-tetrakis(4-methylphenyl)pyrene-1,3,6,8-tetramine
CID 59309101
(E)-3-[2-(1-adamantyl)-4-methoxyphenyl]prop-1-en-1-ol
CID 19920603
1-(7-bromo-3-methoxynaphthalen-2-yl)adamantane
CID 14549073
1-[3-(1-adamantyl)-2-methoxy-5-methylphenyl]adamantane
CID 168737597
2,6-bis(1-adamantyl)phenol
CID 14169592
N-[[1-(7-methoxynaphthalen-1-yl)cyclopropyl]methyl]butanamide
CID 141379403
2-(7-methoxynaphthalen-1-yl)cyclopropane-1-carbonitrile
CID 18513224
cis-(1R,2R)-2-(7-methoxynaphthalen-1-yl)cyclopropane-1-carbonitrile
CID 70029140
1-tert-butyl-7-methoxynaphthalene
CID 608110
3-(7-methoxynaphthalen-1-yl)-2-methylbutan-2-amine
CID 67652493

Frequently Asked Questions

What is the IUPAC name of 1-(7-methoxynaphthalen-1-yl)adamantane?
The IUPAC name of 1-(7-methoxynaphthalen-1-yl)adamantane (CID 173329758) is 1-(7-methoxynaphthalen-1-yl)adamantane.
What is the SMILES notation for 1-(7-methoxynaphthalen-1-yl)adamantane?
The canonical SMILES for 1-(7-methoxynaphthalen-1-yl)adamantane is COc1ccc2cccc(C34CC5CC(CC(C5)C3)C4)c2c1.
What is the InChIKey of 1-(7-methoxynaphthalen-1-yl)adamantane?
The InChIKey is FTQSTZJLUYPHPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24O/c1-22-18-6-5-17-3-2-4-20(19(17)10-18)21-11-14-7-15(12-21)9-16(8-14)13-21/h2-6,10,14-16H,7-9,11-13H2,1H3.
What are the key properties of 1-(7-methoxynaphthalen-1-yl)adamantane?
1-(7-methoxynaphthalen-1-yl)adamantane has a molecular weight of 292.42 g/mol, XLogP of 5.32, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-methoxynaphthalen-1-yl)adamantane is sourced from PubChem (CID 173329758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).