3-(4-tert-butylphenyl)-1-(4-methoxyphenyl)prop-2-en-1-ol

C20H24O2 — CID 78103173

IUPAC3-(4-tert-butylphenyl)-1-(4-methoxyphenyl)prop-2-en-1-ol
SMILESCOc1ccc(C(O)C=Cc2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C20H24O2/c1-20(2,3)17-10-5-15(6-11-17)7-14-19(21)16-8-12-18(22-4)13-9-16/h5-14,19,21H,1-4H3
InChIKeyCNQGTVMGZAPWAQ-UHFFFAOYSA-N
MW296.41 g/mol
LogP4.74
Rot. Bonds4

About 3-(4-tert-butylphenyl)-1-(4-methoxyphenyl)prop-2-en-1-ol

3-(4-tert-butylphenyl)-1-(4-methoxyphenyl)prop-2-en-1-ol (PubChem CID 78103173) has the molecular formula C20H24O2 and a molecular weight of 296.41 g/mol. Its IUPAC name is 3-(4-tert-butylphenyl)-1-(4-methoxyphenyl)prop-2-en-1-ol.

Molecular Properties

Compound Name3-(4-tert-butylphenyl)-1-(4-methoxyphenyl)prop-2-en-1-ol
PubChem CID78103173
Molecular FormulaC20H24O2
Molecular Weight296.41 g/mol
Exact Mass296.18
IUPAC Name3-(4-tert-butylphenyl)-1-(4-methoxyphenyl)prop-2-en-1-ol
SMILESCOc1ccc(C(O)C=Cc2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C20H24O2/c1-20(2,3)17-10-5-15(6-11-17)7-14-19(21)16-8-12-18(22-4)13-9-16/h5-14,19,21H,1-4H3
InChIKeyCNQGTVMGZAPWAQ-UHFFFAOYSA-N
XLogP4.74
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(E)-3-(4-methoxyphenyl)prop-2-ene-1,1-diol
CID 88979121
(E,2S)-1-chloro-4-(4-methoxyphenyl)but-3-en-2-ol
CID 102199471
4-(4-tert-butylphenyl)but-3-en-2-ol
CID 139612527
1-methoxy-4-[(E)-3-[(2-methylpropan-2-yl)oxy]but-1-enyl]benzene
CID 14939551
1-[(E)-2-(4-tert-butylphenyl)ethenyl]-3,5-dimethoxybenzene
CID 102263178
1-methoxy-4-[(3S)-1-(4-methoxyphenyl)penta-1,4-dien-3-yl]benzene
CID 162984597
1-chloro-4-[3-[3-(4-chlorophenyl)-1-(4-methoxyphenyl)prop-2-enyl]sulfonyl-3-(4-methoxyphenyl)prop-1-enyl]benzene
CID 66937867
1-methoxy-4-[2-[4-[2-[4-[2-(4-methoxyphenyl)ethenyl]phenyl]ethenyl]phenyl]ethenyl]benzene
CID 76573307
(E)-1,3-bis(4-bromophenyl)prop-2-en-1-ol
CID 24894592
1-tert-butyl-4-[(4-methoxyphenyl)-phenylmethyl]benzene
CID 102293623
1-tert-butyl-4-[(1S)-1-(4-methoxyphenyl)propyl]benzene
CID 137362247
1-(4-methoxyphenyl)hexa-1,5-dien-3-ol
CID 53401972

Frequently Asked Questions

What is the IUPAC name of 3-(4-tert-butylphenyl)-1-(4-methoxyphenyl)prop-2-en-1-ol?
The IUPAC name of 3-(4-tert-butylphenyl)-1-(4-methoxyphenyl)prop-2-en-1-ol (CID 78103173) is 3-(4-tert-butylphenyl)-1-(4-methoxyphenyl)prop-2-en-1-ol.
What is the SMILES notation for 3-(4-tert-butylphenyl)-1-(4-methoxyphenyl)prop-2-en-1-ol?
The canonical SMILES for 3-(4-tert-butylphenyl)-1-(4-methoxyphenyl)prop-2-en-1-ol is COc1ccc(C(O)C=Cc2ccc(C(C)(C)C)cc2)cc1.
What is the InChIKey of 3-(4-tert-butylphenyl)-1-(4-methoxyphenyl)prop-2-en-1-ol?
The InChIKey is CNQGTVMGZAPWAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24O2/c1-20(2,3)17-10-5-15(6-11-17)7-14-19(21)16-8-12-18(22-4)13-9-16/h5-14,19,21H,1-4H3.
What are the key properties of 3-(4-tert-butylphenyl)-1-(4-methoxyphenyl)prop-2-en-1-ol?
3-(4-tert-butylphenyl)-1-(4-methoxyphenyl)prop-2-en-1-ol has a molecular weight of 296.41 g/mol, XLogP of 4.74, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-tert-butylphenyl)-1-(4-methoxyphenyl)prop-2-en-1-ol is sourced from PubChem (CID 78103173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).