6,7-ditert-butyl-3-methylidene-4H-naphthalen-1-ol

C19H26O — CID 159185884

IUPAC6,7-ditert-butyl-3-methylidene-4H-naphthalen-1-ol
SMILESC=C1C=C(O)c2cc(C(C)(C)C)c(C(C)(C)C)cc2C1
InChIInChI=1S/C19H26O/c1-12-8-13-10-15(18(2,3)4)16(19(5,6)7)11-14(13)17(20)9-12/h9-11,20H,1,8H2,2-7H3
InChIKeyKYOYFIICBRVNOE-UHFFFAOYSA-N
MW270.42 g/mol
LogP5.29
Rot. Bonds

About 6,7-ditert-butyl-3-methylidene-4H-naphthalen-1-ol

6,7-ditert-butyl-3-methylidene-4H-naphthalen-1-ol (PubChem CID 159185884) has the molecular formula C19H26O and a molecular weight of 270.42 g/mol. Its IUPAC name is 6,7-ditert-butyl-3-methylidene-4H-naphthalen-1-ol.

Molecular Properties

Compound Name6,7-ditert-butyl-3-methylidene-4H-naphthalen-1-ol
PubChem CID159185884
Molecular FormulaC19H26O
Molecular Weight270.42 g/mol
Exact Mass270.20
IUPAC Name6,7-ditert-butyl-3-methylidene-4H-naphthalen-1-ol
SMILESC=C1C=C(O)c2cc(C(C)(C)C)c(C(C)(C)C)cc2C1
InChIInChI=1S/C19H26O/c1-12-8-13-10-15(18(2,3)4)16(19(5,6)7)11-14(13)17(20)9-12/h9-11,20H,1,8H2,2-7H3
InChIKeyKYOYFIICBRVNOE-UHFFFAOYSA-N
XLogP5.29
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500270.42
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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6,12,20,26-tetratert-butyl-9,23-dithiaheptacyclo[23.3.1.13,7.111,15.117,21.04,28.014,18]dotriaconta-1(29),3(32),4,6,11,13,15(31),17(30),18,20,25,27-dodecaene
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Frequently Asked Questions

What is the IUPAC name of 6,7-ditert-butyl-3-methylidene-4H-naphthalen-1-ol?
The IUPAC name of 6,7-ditert-butyl-3-methylidene-4H-naphthalen-1-ol (CID 159185884) is 6,7-ditert-butyl-3-methylidene-4H-naphthalen-1-ol.
What is the SMILES notation for 6,7-ditert-butyl-3-methylidene-4H-naphthalen-1-ol?
The canonical SMILES for 6,7-ditert-butyl-3-methylidene-4H-naphthalen-1-ol is C=C1C=C(O)c2cc(C(C)(C)C)c(C(C)(C)C)cc2C1.
What is the InChIKey of 6,7-ditert-butyl-3-methylidene-4H-naphthalen-1-ol?
The InChIKey is KYOYFIICBRVNOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26O/c1-12-8-13-10-15(18(2,3)4)16(19(5,6)7)11-14(13)17(20)9-12/h9-11,20H,1,8H2,2-7H3.
What are the key properties of 6,7-ditert-butyl-3-methylidene-4H-naphthalen-1-ol?
6,7-ditert-butyl-3-methylidene-4H-naphthalen-1-ol has a molecular weight of 270.42 g/mol, XLogP of 5.29, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-ditert-butyl-3-methylidene-4H-naphthalen-1-ol is sourced from PubChem (CID 159185884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).