1,8-bis(2-methylprop-2-enyl)naphthalene-2,7-diol

C18H20O2 — CID 139631768

IUPAC1,8-bis(2-methylprop-2-enyl)naphthalene-2,7-diol
SMILESC=C(C)Cc1c(O)ccc2ccc(O)c(CC(=C)C)c12
InChIInChI=1S/C18H20O2/c1-11(2)9-14-16(19)7-5-13-6-8-17(20)15(18(13)14)10-12(3)4/h5-8,19-20H,1,3,9-10H2,2,4H3
InChIKeyBEBHRMMZUQMQEL-UHFFFAOYSA-N
MW268.36 g/mol
LogP4.49
Rot. Bonds4

About 1,8-bis(2-methylprop-2-enyl)naphthalene-2,7-diol

1,8-bis(2-methylprop-2-enyl)naphthalene-2,7-diol (PubChem CID 139631768) has the molecular formula C18H20O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is 1,8-bis(2-methylprop-2-enyl)naphthalene-2,7-diol.

Molecular Properties

Compound Name1,8-bis(2-methylprop-2-enyl)naphthalene-2,7-diol
PubChem CID139631768
Molecular FormulaC18H20O2
Molecular Weight268.36 g/mol
Exact Mass268.15
IUPAC Name1,8-bis(2-methylprop-2-enyl)naphthalene-2,7-diol
SMILESC=C(C)Cc1c(O)ccc2ccc(O)c(CC(=C)C)c12
InChIInChI=1S/C18H20O2/c1-11(2)9-14-16(19)7-5-13-6-8-17(20)15(18(13)14)10-12(3)4/h5-8,19-20H,1,3,9-10H2,2,4H3
InChIKeyBEBHRMMZUQMQEL-UHFFFAOYSA-N
XLogP4.49
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(dimethylamino)-2-(2-methylprop-2-enyl)phenol
CID 12927727
2-(2-methylprop-2-enyl)benzene-1,4-diol
CID 19744956
2,4-bis(2-methylprop-2-enyl)phenol
CID 139609254
4-chloro-2-(2-methylprop-2-enyl)phenol
CID 57370913
4-[4-hydroxy-3-(2-methylprop-2-enyl)phenyl]sulfanyl-2-(2-methylprop-2-enyl)phenol
CID 139631748
2-fluoro-4-(2-methylprop-2-enyl)phenol
CID 142516267
bis[4-hydroxy-3-(2-methylprop-2-enyl)phenyl]methanone
CID 139631724
3-bromo-2-(2-methylprop-2-enyl)phenol;5-bromo-2-(2-methylprop-2-enyl)phenol
CID 159124897
2-(2-methylprop-2-enyl)naphthalene
CID 24722193
5-methyl-2-(2-methylprop-2-enyl)-3-propylphenol
CID 19877333
2-(iodomethyl)-4-prop-1-en-2-ylphenol
CID 54302731
2-(3-methylbut-3-enyl)benzene-1,4-diol
CID 23318481

Frequently Asked Questions

What is the IUPAC name of 1,8-bis(2-methylprop-2-enyl)naphthalene-2,7-diol?
The IUPAC name of 1,8-bis(2-methylprop-2-enyl)naphthalene-2,7-diol (CID 139631768) is 1,8-bis(2-methylprop-2-enyl)naphthalene-2,7-diol.
What is the SMILES notation for 1,8-bis(2-methylprop-2-enyl)naphthalene-2,7-diol?
The canonical SMILES for 1,8-bis(2-methylprop-2-enyl)naphthalene-2,7-diol is C=C(C)Cc1c(O)ccc2ccc(O)c(CC(=C)C)c12.
What is the InChIKey of 1,8-bis(2-methylprop-2-enyl)naphthalene-2,7-diol?
The InChIKey is BEBHRMMZUQMQEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O2/c1-11(2)9-14-16(19)7-5-13-6-8-17(20)15(18(13)14)10-12(3)4/h5-8,19-20H,1,3,9-10H2,2,4H3.
What are the key properties of 1,8-bis(2-methylprop-2-enyl)naphthalene-2,7-diol?
1,8-bis(2-methylprop-2-enyl)naphthalene-2,7-diol has a molecular weight of 268.36 g/mol, XLogP of 4.49, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,8-bis(2-methylprop-2-enyl)naphthalene-2,7-diol is sourced from PubChem (CID 139631768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).