1-[2-methoxy-5-(6-propan-2-ylnaphthalen-2-yl)phenyl]adamantane

C30H34O — CID 170407580

IUPAC1-[2-methoxy-5-(6-propan-2-ylnaphthalen-2-yl)phenyl]adamantane
SMILESCOc1ccc(-c2ccc3cc(C(C)C)ccc3c2)cc1C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C30H34O/c1-19(2)23-4-5-25-14-26(7-6-24(25)13-23)27-8-9-29(31-3)28(15-27)30-16-20-10-21(17-30)12-22(11-20)18-30/h4-9,13-15,19-22H,10-12,16-18H2,1-3H3
InChIKeyDLNQUYLKJULXRQ-UHFFFAOYSA-N
MW410.60 g/mol
LogP8.11
Rot. Bonds4

About 1-[2-methoxy-5-(6-propan-2-ylnaphthalen-2-yl)phenyl]adamantane

1-[2-methoxy-5-(6-propan-2-ylnaphthalen-2-yl)phenyl]adamantane (PubChem CID 170407580) has the molecular formula C30H34O and a molecular weight of 410.60 g/mol. Its IUPAC name is 1-[2-methoxy-5-(6-propan-2-ylnaphthalen-2-yl)phenyl]adamantane.

Molecular Properties

Compound Name1-[2-methoxy-5-(6-propan-2-ylnaphthalen-2-yl)phenyl]adamantane
PubChem CID170407580
Molecular FormulaC30H34O
Molecular Weight410.60 g/mol
Exact Mass410.26
IUPAC Name1-[2-methoxy-5-(6-propan-2-ylnaphthalen-2-yl)phenyl]adamantane
SMILESCOc1ccc(-c2ccc3cc(C(C)C)ccc3c2)cc1C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C30H34O/c1-19(2)23-4-5-25-14-26(7-6-24(25)13-23)27-8-9-29(31-3)28(15-27)30-16-20-10-21(17-30)12-22(11-20)18-30/h4-9,13-15,19-22H,10-12,16-18H2,1-3H3
InChIKeyDLNQUYLKJULXRQ-UHFFFAOYSA-N
XLogP8.11
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.60
LogP ≤ 58.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

[6-[3-(1-adamantyl)-4-methoxyphenyl]naphthalen-2-yl]-methoxymethanol
CID 167027695
CID 66755533
CID 66755533
lithium 6-[3-(1-adamantyl)-4-methoxyphenyl]naphthalene-2-carboxylate
CID 23672375
1-(2-methoxy-5-phenylphenyl)adamantane
CID 67688498
S-methyl 6-[4-methoxy-3-(1-tricyclo[3.3.1.03,7]nonanyl)phenyl]naphthalene-2-carbothioate
CID 177352938
5-[[6-[3-(1-adamantyl)-4-methoxyphenyl]naphthalen-2-yl]methyl]-1,3-thiazolidine-2,4-dione
CID 58765624
2-propan-2-yl-6-(6-propan-2-ylnaphthalen-2-yl)naphthalene
CID 59610790
4-triethylsilylbutyl 6-[3-(1-adamantyl)-4-methoxyphenyl]naphthalene-2-carboxylate
CID 154701859
1-(2-methoxy-5-nitrophenyl)adamantane
CID 5305343
1-(7-bromo-3-methoxynaphthalen-2-yl)adamantane
CID 14549073
6-[3-(3-ethyl-7-methyl-1-bicyclo[3.3.1]nonanyl)-4-methoxyphenyl]naphthalene-2-carboxylic acid
CID 126729098
[(1aR,7bR)-3-methyl-1a,2-dihydro-1H-cyclopropa[c]quinolin-7b-yl]-[6-[3-(1-adamantyl)-4-methoxyphenyl]naphthalen-2-yl]methanone
CID 164669155

Frequently Asked Questions

What is the IUPAC name of 1-[2-methoxy-5-(6-propan-2-ylnaphthalen-2-yl)phenyl]adamantane?
The IUPAC name of 1-[2-methoxy-5-(6-propan-2-ylnaphthalen-2-yl)phenyl]adamantane (CID 170407580) is 1-[2-methoxy-5-(6-propan-2-ylnaphthalen-2-yl)phenyl]adamantane.
What is the SMILES notation for 1-[2-methoxy-5-(6-propan-2-ylnaphthalen-2-yl)phenyl]adamantane?
The canonical SMILES for 1-[2-methoxy-5-(6-propan-2-ylnaphthalen-2-yl)phenyl]adamantane is COc1ccc(-c2ccc3cc(C(C)C)ccc3c2)cc1C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 1-[2-methoxy-5-(6-propan-2-ylnaphthalen-2-yl)phenyl]adamantane?
The InChIKey is DLNQUYLKJULXRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34O/c1-19(2)23-4-5-25-14-26(7-6-24(25)13-23)27-8-9-29(31-3)28(15-27)30-16-20-10-21(17-30)12-22(11-20)18-30/h4-9,13-15,19-22H,10-12,16-18H2,1-3H3.
What are the key properties of 1-[2-methoxy-5-(6-propan-2-ylnaphthalen-2-yl)phenyl]adamantane?
1-[2-methoxy-5-(6-propan-2-ylnaphthalen-2-yl)phenyl]adamantane has a molecular weight of 410.60 g/mol, XLogP of 8.11, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methoxy-5-(6-propan-2-ylnaphthalen-2-yl)phenyl]adamantane is sourced from PubChem (CID 170407580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).