5,7,8-trimethoxy-6-(3-methylbut-2-enyl)naphthalen-1-ol

C18H22O4 — CID 73212224

IUPAC5,7,8-trimethoxy-6-(3-methylbut-2-enyl)naphthalen-1-ol
SMILESCOc1c(CC=C(C)C)c(OC)c2cccc(O)c2c1OC
InChIInChI=1S/C18H22O4/c1-11(2)9-10-13-16(20-3)12-7-6-8-14(19)15(12)18(22-5)17(13)21-4/h6-9,19H,10H2,1-5H3
InChIKeyMEPKUQKLCIMXET-UHFFFAOYSA-N
MW302.37 g/mol
LogP4.08
Rot. Bonds5

About 5,7,8-trimethoxy-6-(3-methylbut-2-enyl)naphthalen-1-ol

5,7,8-trimethoxy-6-(3-methylbut-2-enyl)naphthalen-1-ol (PubChem CID 73212224) has the molecular formula C18H22O4 and a molecular weight of 302.37 g/mol. Its IUPAC name is 5,7,8-trimethoxy-6-(3-methylbut-2-enyl)naphthalen-1-ol.

Molecular Properties

Compound Name5,7,8-trimethoxy-6-(3-methylbut-2-enyl)naphthalen-1-ol
PubChem CID73212224
Molecular FormulaC18H22O4
Molecular Weight302.37 g/mol
Exact Mass302.15
IUPAC Name5,7,8-trimethoxy-6-(3-methylbut-2-enyl)naphthalen-1-ol
SMILESCOc1c(CC=C(C)C)c(OC)c2cccc(O)c2c1OC
InChIInChI=1S/C18H22O4/c1-11(2)9-10-13-16(20-3)12-7-6-8-14(19)15(12)18(22-5)17(13)21-4/h6-9,19H,10H2,1-5H3
InChIKeyMEPKUQKLCIMXET-UHFFFAOYSA-N
XLogP4.08
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1,3-dimethoxy-2-(3-methylbut-2-enyl)benzene
CID 54284542
3,8-dihydroxy-2,4-dimethoxy-1-(3-methylbut-2-enyl)xanthen-9-one
CID 11537710
7-hydroxy-4,8-dimethoxy-3-(3-methylbut-2-enyl)-1H-quinolin-2-one
CID 171342326
7-(8-hydroxy-1,4-dimethoxy-3-methylnaphthalen-2-yl)-5,8-dimethoxy-6-methylnaphthalen-1-ol
CID 13468240
5-methoxy-2-(3-methylbut-2-enyl)benzene-1,3-diol
CID 91064206
1,3,5-trihydroxy-4-(3-methylbut-2-enyl)-10H-acridin-9-one
CID 11953486
2-(4-bromophenyl)-5,7-dihydroxy-3-methoxy-8-(3-methylbut-2-enyl)chromen-4-one
CID 71660987
3-chloro-4-(3-methylbut-2-enyl)naphthalene-1,2-diol
CID 71324698
6,7,8-trimethoxynaphthalen-1-ol
CID 15073678
3,6-dihydroxy-1,7-dimethoxy-2,8-bis(3-methylbut-2-enyl)xanthen-9-one
CID 86302532
8-hydroxy-9,10-dimethoxyanthracene-2-carbaldehyde
CID 163029200
4-(1,4-dimethoxy-3-methylnaphthalen-2-yl)-2-methylbut-2-enal
CID 86141034

Frequently Asked Questions

What is the IUPAC name of 5,7,8-trimethoxy-6-(3-methylbut-2-enyl)naphthalen-1-ol?
The IUPAC name of 5,7,8-trimethoxy-6-(3-methylbut-2-enyl)naphthalen-1-ol (CID 73212224) is 5,7,8-trimethoxy-6-(3-methylbut-2-enyl)naphthalen-1-ol.
What is the SMILES notation for 5,7,8-trimethoxy-6-(3-methylbut-2-enyl)naphthalen-1-ol?
The canonical SMILES for 5,7,8-trimethoxy-6-(3-methylbut-2-enyl)naphthalen-1-ol is COc1c(CC=C(C)C)c(OC)c2cccc(O)c2c1OC.
What is the InChIKey of 5,7,8-trimethoxy-6-(3-methylbut-2-enyl)naphthalen-1-ol?
The InChIKey is MEPKUQKLCIMXET-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O4/c1-11(2)9-10-13-16(20-3)12-7-6-8-14(19)15(12)18(22-5)17(13)21-4/h6-9,19H,10H2,1-5H3.
What are the key properties of 5,7,8-trimethoxy-6-(3-methylbut-2-enyl)naphthalen-1-ol?
5,7,8-trimethoxy-6-(3-methylbut-2-enyl)naphthalen-1-ol has a molecular weight of 302.37 g/mol, XLogP of 4.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7,8-trimethoxy-6-(3-methylbut-2-enyl)naphthalen-1-ol is sourced from PubChem (CID 73212224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).