4-tert-butyl-2-(1-ethylcyclohexa-2,4-dien-1-yl)phenol

C18H24O — CID 175298689

IUPAC4-tert-butyl-2-(1-ethylcyclohexa-2,4-dien-1-yl)phenol
SMILESCCC1(c2cc(C(C)(C)C)ccc2O)C=CC=CC1
InChIInChI=1S/C18H24O/c1-5-18(11-7-6-8-12-18)15-13-14(17(2,3)4)9-10-16(15)19/h6-11,13,19H,5,12H2,1-4H3
InChIKeyWEAYFPAHWXIOKT-UHFFFAOYSA-N
MW256.39 g/mol
LogP4.85
Rot. Bonds2

About 4-tert-butyl-2-(1-ethylcyclohexa-2,4-dien-1-yl)phenol

4-tert-butyl-2-(1-ethylcyclohexa-2,4-dien-1-yl)phenol (PubChem CID 175298689) has the molecular formula C18H24O and a molecular weight of 256.39 g/mol. Its IUPAC name is 4-tert-butyl-2-(1-ethylcyclohexa-2,4-dien-1-yl)phenol.

Molecular Properties

Compound Name4-tert-butyl-2-(1-ethylcyclohexa-2,4-dien-1-yl)phenol
PubChem CID175298689
Molecular FormulaC18H24O
Molecular Weight256.39 g/mol
Exact Mass256.18
IUPAC Name4-tert-butyl-2-(1-ethylcyclohexa-2,4-dien-1-yl)phenol
SMILESCCC1(c2cc(C(C)(C)C)ccc2O)C=CC=CC1
InChIInChI=1S/C18H24O/c1-5-18(11-7-6-8-12-18)15-13-14(17(2,3)4)9-10-16(15)19/h6-11,13,19H,5,12H2,1-4H3
InChIKeyWEAYFPAHWXIOKT-UHFFFAOYSA-N
XLogP4.85
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-(1-ethylcyclohexa-2,4-dien-1-yl)phenol?
The IUPAC name of 4-tert-butyl-2-(1-ethylcyclohexa-2,4-dien-1-yl)phenol (CID 175298689) is 4-tert-butyl-2-(1-ethylcyclohexa-2,4-dien-1-yl)phenol.
What is the SMILES notation for 4-tert-butyl-2-(1-ethylcyclohexa-2,4-dien-1-yl)phenol?
The canonical SMILES for 4-tert-butyl-2-(1-ethylcyclohexa-2,4-dien-1-yl)phenol is CCC1(c2cc(C(C)(C)C)ccc2O)C=CC=CC1.
What is the InChIKey of 4-tert-butyl-2-(1-ethylcyclohexa-2,4-dien-1-yl)phenol?
The InChIKey is WEAYFPAHWXIOKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24O/c1-5-18(11-7-6-8-12-18)15-13-14(17(2,3)4)9-10-16(15)19/h6-11,13,19H,5,12H2,1-4H3.
What are the key properties of 4-tert-butyl-2-(1-ethylcyclohexa-2,4-dien-1-yl)phenol?
4-tert-butyl-2-(1-ethylcyclohexa-2,4-dien-1-yl)phenol has a molecular weight of 256.39 g/mol, XLogP of 4.85, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-(1-ethylcyclohexa-2,4-dien-1-yl)phenol is sourced from PubChem (CID 175298689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).