(E)-3-[4-(3-methylbutoxy)phenyl]prop-2-en-1-ol

C14H20O2 — CID 70597845

IUPAC(E)-3-[4-(3-methylbutoxy)phenyl]prop-2-en-1-ol
SMILESCC(C)CCOc1ccc(/C=C/CO)cc1
InChIInChI=1S/C14H20O2/c1-12(2)9-11-16-14-7-5-13(6-8-14)4-3-10-15/h3-8,12,15H,9-11H2,1-2H3/b4-3+
InChIKeyWBHDUYINFATGIF-ONEGZZNKSA-N
MW220.31 g/mol
LogP3.12
Rot. Bonds6

About (E)-3-[4-(3-methylbutoxy)phenyl]prop-2-en-1-ol

(E)-3-[4-(3-methylbutoxy)phenyl]prop-2-en-1-ol (PubChem CID 70597845) has the molecular formula C14H20O2 and a molecular weight of 220.31 g/mol. Its IUPAC name is (E)-3-[4-(3-methylbutoxy)phenyl]prop-2-en-1-ol.

Molecular Properties

Compound Name(E)-3-[4-(3-methylbutoxy)phenyl]prop-2-en-1-ol
PubChem CID70597845
Molecular FormulaC14H20O2
Molecular Weight220.31 g/mol
Exact Mass220.15
IUPAC Name(E)-3-[4-(3-methylbutoxy)phenyl]prop-2-en-1-ol
SMILESCC(C)CCOc1ccc(/C=C/CO)cc1
InChIInChI=1S/C14H20O2/c1-12(2)9-11-16-14-7-5-13(6-8-14)4-3-10-15/h3-8,12,15H,9-11H2,1-2H3/b4-3+
InChIKeyWBHDUYINFATGIF-ONEGZZNKSA-N
XLogP3.12
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[4-(2-ethenoxyethoxy)phenyl]prop-2-en-1-ol
CID 123795084
1-(4-methylpentoxy)-4-[(E)-2-phenylethenyl]benzene
CID 118960625
1-[4-(3-hydroxyprop-1-enyl)phenoxy]-3-methylbutane-2,3-diol
CID 74075858
2-(4-prop-1-enylphenoxy)ethanol
CID 54412247
(E)-N-[4-(3-methylbutoxy)phenyl]-3-(4-methylphenyl)prop-2-enamide
CID 6235210
[4-(3-methylbutoxy)phenyl] formate
CID 54338269
3-[4-(difluoromethoxy)phenyl]prop-2-en-1-ol
CID 79335695
1-ethyl-4-(3-methylbutoxy)benzene
CID 60722998
2-cyano-3-[4-(3-methylbutoxy)phenyl]prop-2-enamide
CID 4816639
methyl-[4-(3-methylbutoxy)phenyl]iodanium
CID 168795737
1-(3-methylbutoxy)-4-phenylbenzene
CID 91725732
3-[4-(2-methylpropoxy)phenyl]prop-2-en-1-amine
CID 169464663

Frequently Asked Questions

What is the IUPAC name of (E)-3-[4-(3-methylbutoxy)phenyl]prop-2-en-1-ol?
The IUPAC name of (E)-3-[4-(3-methylbutoxy)phenyl]prop-2-en-1-ol (CID 70597845) is (E)-3-[4-(3-methylbutoxy)phenyl]prop-2-en-1-ol.
What is the SMILES notation for (E)-3-[4-(3-methylbutoxy)phenyl]prop-2-en-1-ol?
The canonical SMILES for (E)-3-[4-(3-methylbutoxy)phenyl]prop-2-en-1-ol is CC(C)CCOc1ccc(/C=C/CO)cc1.
What is the InChIKey of (E)-3-[4-(3-methylbutoxy)phenyl]prop-2-en-1-ol?
The InChIKey is WBHDUYINFATGIF-ONEGZZNKSA-N. The full InChI is InChI=1S/C14H20O2/c1-12(2)9-11-16-14-7-5-13(6-8-14)4-3-10-15/h3-8,12,15H,9-11H2,1-2H3/b4-3+.
What are the key properties of (E)-3-[4-(3-methylbutoxy)phenyl]prop-2-en-1-ol?
(E)-3-[4-(3-methylbutoxy)phenyl]prop-2-en-1-ol has a molecular weight of 220.31 g/mol, XLogP of 3.12, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[4-(3-methylbutoxy)phenyl]prop-2-en-1-ol is sourced from PubChem (CID 70597845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).