(E)-4-(3-propoxyphenyl)but-3-en-2-ol

C13H18O2 — CID 103971300

IUPAC(E)-4-(3-propoxyphenyl)but-3-en-2-ol
SMILESCCCOc1cccc(/C=C/C(C)O)c1
InChIInChI=1S/C13H18O2/c1-3-9-15-13-6-4-5-12(10-13)8-7-11(2)14/h4-8,10-11,14H,3,9H2,1-2H3/b8-7+
InChIKeyROOIPPRCVIRFMA-BQYQJAHWSA-N
MW206.28 g/mol
LogP2.87
Rot. Bonds5

About (E)-4-(3-propoxyphenyl)but-3-en-2-ol

(E)-4-(3-propoxyphenyl)but-3-en-2-ol (PubChem CID 103971300) has the molecular formula C13H18O2 and a molecular weight of 206.28 g/mol. Its IUPAC name is (E)-4-(3-propoxyphenyl)but-3-en-2-ol.

Molecular Properties

Compound Name(E)-4-(3-propoxyphenyl)but-3-en-2-ol
PubChem CID103971300
Molecular FormulaC13H18O2
Molecular Weight206.28 g/mol
Exact Mass206.13
IUPAC Name(E)-4-(3-propoxyphenyl)but-3-en-2-ol
SMILESCCCOc1cccc(/C=C/C(C)O)c1
InChIInChI=1S/C13H18O2/c1-3-9-15-13-6-4-5-12(10-13)8-7-11(2)14/h4-8,10-11,14H,3,9H2,1-2H3/b8-7+
InChIKeyROOIPPRCVIRFMA-BQYQJAHWSA-N
XLogP2.87
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.28
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

propan-2-yl 3-(3-propoxyphenyl)prop-2-enoate
CID 130331837
4-(3-propoxyphenyl)but-3-enal
CID 170482159
2-methyl-N-propan-2-yl-3-(3-propoxyphenyl)prop-2-en-1-amine
CID 79340094
N-ethyl-3-methyl-2-[(3-propoxyphenyl)methylidene]butan-1-amine
CID 79339427
3-methyl-1-(3-propoxyphenoxy)butan-2-ol
CID 69097462
1-[2-(bromomethyl)but-1-enyl]-3-propoxybenzene
CID 79322140
1,5-bis(3-butoxyphenyl)penta-1,4-dien-3-one
CID 77385934
1-[(Z)-2-nitroprop-1-enyl]-3-propoxybenzene
CID 21160899
3-(3-butoxyphenyl)prop-2-enoic acid
CID 54374126
propyl 3-(3-butoxyphenyl)prop-2-enoate
CID 130331772
N-methyl-N-[(E)-(3-propoxyphenyl)methylideneamino]methanamine
CID 110340427
(1R)-1-[3-(2-propoxyethoxy)phenyl]ethanol
CID 106453772

Frequently Asked Questions

What is the IUPAC name of (E)-4-(3-propoxyphenyl)but-3-en-2-ol?
The IUPAC name of (E)-4-(3-propoxyphenyl)but-3-en-2-ol (CID 103971300) is (E)-4-(3-propoxyphenyl)but-3-en-2-ol.
What is the SMILES notation for (E)-4-(3-propoxyphenyl)but-3-en-2-ol?
The canonical SMILES for (E)-4-(3-propoxyphenyl)but-3-en-2-ol is CCCOc1cccc(/C=C/C(C)O)c1.
What is the InChIKey of (E)-4-(3-propoxyphenyl)but-3-en-2-ol?
The InChIKey is ROOIPPRCVIRFMA-BQYQJAHWSA-N. The full InChI is InChI=1S/C13H18O2/c1-3-9-15-13-6-4-5-12(10-13)8-7-11(2)14/h4-8,10-11,14H,3,9H2,1-2H3/b8-7+.
What are the key properties of (E)-4-(3-propoxyphenyl)but-3-en-2-ol?
(E)-4-(3-propoxyphenyl)but-3-en-2-ol has a molecular weight of 206.28 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-(3-propoxyphenyl)but-3-en-2-ol is sourced from PubChem (CID 103971300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).