4-tert-butyl-3-methyl-4-phenylcyclohexa-1,5-dien-1-ol

C17H22O — CID 154338193

IUPAC4-tert-butyl-3-methyl-4-phenylcyclohexa-1,5-dien-1-ol
SMILESCC1C=C(O)C=CC1(c1ccccc1)C(C)(C)C
InChIInChI=1S/C17H22O/c1-13-12-15(18)10-11-17(13,16(2,3)4)14-8-6-5-7-9-14/h5-13,18H,1-4H3
InChIKeyHKSCYXWRXHTFKX-UHFFFAOYSA-N
MW242.36 g/mol
LogP4.62
Rot. Bonds1

About 4-tert-butyl-3-methyl-4-phenylcyclohexa-1,5-dien-1-ol

4-tert-butyl-3-methyl-4-phenylcyclohexa-1,5-dien-1-ol (PubChem CID 154338193) has the molecular formula C17H22O and a molecular weight of 242.36 g/mol. Its IUPAC name is 4-tert-butyl-3-methyl-4-phenylcyclohexa-1,5-dien-1-ol.

Molecular Properties

Compound Name4-tert-butyl-3-methyl-4-phenylcyclohexa-1,5-dien-1-ol
PubChem CID154338193
Molecular FormulaC17H22O
Molecular Weight242.36 g/mol
Exact Mass242.17
IUPAC Name4-tert-butyl-3-methyl-4-phenylcyclohexa-1,5-dien-1-ol
SMILESCC1C=C(O)C=CC1(c1ccccc1)C(C)(C)C
InChIInChI=1S/C17H22O/c1-13-12-15(18)10-11-17(13,16(2,3)4)14-8-6-5-7-9-14/h5-13,18H,1-4H3
InChIKeyHKSCYXWRXHTFKX-UHFFFAOYSA-N
XLogP4.62
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-3-methyl-4-phenylcyclohexa-1,5-dien-1-ol?
The IUPAC name of 4-tert-butyl-3-methyl-4-phenylcyclohexa-1,5-dien-1-ol (CID 154338193) is 4-tert-butyl-3-methyl-4-phenylcyclohexa-1,5-dien-1-ol.
What is the SMILES notation for 4-tert-butyl-3-methyl-4-phenylcyclohexa-1,5-dien-1-ol?
The canonical SMILES for 4-tert-butyl-3-methyl-4-phenylcyclohexa-1,5-dien-1-ol is CC1C=C(O)C=CC1(c1ccccc1)C(C)(C)C.
What is the InChIKey of 4-tert-butyl-3-methyl-4-phenylcyclohexa-1,5-dien-1-ol?
The InChIKey is HKSCYXWRXHTFKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22O/c1-13-12-15(18)10-11-17(13,16(2,3)4)14-8-6-5-7-9-14/h5-13,18H,1-4H3.
What are the key properties of 4-tert-butyl-3-methyl-4-phenylcyclohexa-1,5-dien-1-ol?
4-tert-butyl-3-methyl-4-phenylcyclohexa-1,5-dien-1-ol has a molecular weight of 242.36 g/mol, XLogP of 4.62, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-3-methyl-4-phenylcyclohexa-1,5-dien-1-ol is sourced from PubChem (CID 154338193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).