ethane;1-prop-1-enyl-2-propoxybenzene

C14H22O — CID 91525443

IUPACethane;1-prop-1-enyl-2-propoxybenzene
SMILESCC.CC=Cc1ccccc1OCCC
InChIInChI=1S/C12H16O.C2H6/c1-3-7-11-8-5-6-9-12(11)13-10-4-2;1-2/h3,5-9H,4,10H2,1-2H3;1-2H3
InChIKeyGQGJFOVPSZPAMB-UHFFFAOYSA-N
MW206.33 g/mol
LogP4.53
Rot. Bonds4

About ethane;1-prop-1-enyl-2-propoxybenzene

ethane;1-prop-1-enyl-2-propoxybenzene (PubChem CID 91525443) has the molecular formula C14H22O and a molecular weight of 206.33 g/mol. Its IUPAC name is ethane;1-prop-1-enyl-2-propoxybenzene.

Molecular Properties

Compound Nameethane;1-prop-1-enyl-2-propoxybenzene
PubChem CID91525443
Molecular FormulaC14H22O
Molecular Weight206.33 g/mol
Exact Mass206.17
IUPAC Nameethane;1-prop-1-enyl-2-propoxybenzene
SMILESCC.CC=Cc1ccccc1OCCC
InChIInChI=1S/C12H16O.C2H6/c1-3-7-11-8-5-6-9-12(11)13-10-4-2;1-2/h3,5-9H,4,10H2,1-2H3;1-2H3
InChIKeyGQGJFOVPSZPAMB-UHFFFAOYSA-N
XLogP4.53
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-chlorobutoxy)-2-prop-1-enylbenzene
CID 76919134
1-[(E)-but-1-enyl]-2-propoxybenzene;methane
CID 159219180
N-methyl-4-(2-prop-1-enylphenoxy)butan-1-amine
CID 76943530
(E)-3-(2-propoxyphenyl)prop-2-enamide
CID 82040605
1-[(E)-2-bromoethenyl]-2-butoxybenzene
CID 165465465
1-(2-propoxyphenyl)-N-[2-[(2-propoxyphenyl)methylideneamino]ethyl]methanimine
CID 67897520
N-propan-2-yl-4-(2-prop-1-enylphenoxy)butan-1-amine
CID 76943546
ethyl 6-(2-prop-1-enylphenoxy)hexanoate
CID 77024450
1-[2-[(E)-prop-1-enyl]phenoxy]tetradecan-2-ol
CID 155122599
N-(2-methoxyethyl)-4-(2-prop-1-enylphenoxy)butan-1-amine
CID 76946631
3-[2-[(Z)-prop-1-enyl]phenoxy]propane-1,2-diol
CID 66896080
1-(3-bromopropoxy)-2-propoxybenzene
CID 43135429

Frequently Asked Questions

What is the IUPAC name of ethane;1-prop-1-enyl-2-propoxybenzene?
The IUPAC name of ethane;1-prop-1-enyl-2-propoxybenzene (CID 91525443) is ethane;1-prop-1-enyl-2-propoxybenzene.
What is the SMILES notation for ethane;1-prop-1-enyl-2-propoxybenzene?
The canonical SMILES for ethane;1-prop-1-enyl-2-propoxybenzene is CC.CC=Cc1ccccc1OCCC.
What is the InChIKey of ethane;1-prop-1-enyl-2-propoxybenzene?
The InChIKey is GQGJFOVPSZPAMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O.C2H6/c1-3-7-11-8-5-6-9-12(11)13-10-4-2;1-2/h3,5-9H,4,10H2,1-2H3;1-2H3.
What are the key properties of ethane;1-prop-1-enyl-2-propoxybenzene?
ethane;1-prop-1-enyl-2-propoxybenzene has a molecular weight of 206.33 g/mol, XLogP of 4.53, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-prop-1-enyl-2-propoxybenzene is sourced from PubChem (CID 91525443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).