1-butyl-3-phenylcyclobut-2-en-1-ol

C14H18O — CID 12059929

IUPAC1-butyl-3-phenylcyclobut-2-en-1-ol
SMILESCCCCC1(O)C=C(c2ccccc2)C1
InChIInChI=1S/C14H18O/c1-2-3-9-14(15)10-13(11-14)12-7-5-4-6-8-12/h4-8,10,15H,2-3,9,11H2,1H3
InChIKeyTYKNBJMSMGERHL-UHFFFAOYSA-N
MW202.30 g/mol
LogP3.39
Rot. Bonds4

About 1-butyl-3-phenylcyclobut-2-en-1-ol

1-butyl-3-phenylcyclobut-2-en-1-ol (PubChem CID 12059929) has the molecular formula C14H18O and a molecular weight of 202.30 g/mol. Its IUPAC name is 1-butyl-3-phenylcyclobut-2-en-1-ol.

Molecular Properties

Compound Name1-butyl-3-phenylcyclobut-2-en-1-ol
PubChem CID12059929
Molecular FormulaC14H18O
Molecular Weight202.30 g/mol
Exact Mass202.14
IUPAC Name1-butyl-3-phenylcyclobut-2-en-1-ol
SMILESCCCCC1(O)C=C(c2ccccc2)C1
InChIInChI=1S/C14H18O/c1-2-3-9-14(15)10-13(11-14)12-7-5-4-6-8-12/h4-8,10,15H,2-3,9,11H2,1H3
InChIKeyTYKNBJMSMGERHL-UHFFFAOYSA-N
XLogP3.39
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-butyl-3-phenylcyclobut-2-en-1-ol?
The IUPAC name of 1-butyl-3-phenylcyclobut-2-en-1-ol (CID 12059929) is 1-butyl-3-phenylcyclobut-2-en-1-ol.
What is the SMILES notation for 1-butyl-3-phenylcyclobut-2-en-1-ol?
The canonical SMILES for 1-butyl-3-phenylcyclobut-2-en-1-ol is CCCCC1(O)C=C(c2ccccc2)C1.
What is the InChIKey of 1-butyl-3-phenylcyclobut-2-en-1-ol?
The InChIKey is TYKNBJMSMGERHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O/c1-2-3-9-14(15)10-13(11-14)12-7-5-4-6-8-12/h4-8,10,15H,2-3,9,11H2,1H3.
What are the key properties of 1-butyl-3-phenylcyclobut-2-en-1-ol?
1-butyl-3-phenylcyclobut-2-en-1-ol has a molecular weight of 202.30 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3-phenylcyclobut-2-en-1-ol is sourced from PubChem (CID 12059929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).