hex-1-en-2-yl 3-methoxybenzoate

C14H18O3 — CID 73010414

IUPAChex-1-en-2-yl 3-methoxybenzoate
SMILESC=C(CCCC)OC(=O)c1cccc(OC)c1
InChIInChI=1S/C14H18O3/c1-4-5-7-11(2)17-14(15)12-8-6-9-13(10-12)16-3/h6,8-10H,2,4-5,7H2,1,3H3
InChIKeyOZXLZBIZMHOCAU-UHFFFAOYSA-N
MW234.29 g/mol
LogP3.56
Rot. Bonds6

About hex-1-en-2-yl 3-methoxybenzoate

hex-1-en-2-yl 3-methoxybenzoate (PubChem CID 73010414) has the molecular formula C14H18O3 and a molecular weight of 234.29 g/mol. Its IUPAC name is hex-1-en-2-yl 3-methoxybenzoate.

Molecular Properties

Compound Namehex-1-en-2-yl 3-methoxybenzoate
PubChem CID73010414
Molecular FormulaC14H18O3
Molecular Weight234.29 g/mol
Exact Mass234.13
IUPAC Namehex-1-en-2-yl 3-methoxybenzoate
SMILESC=C(CCCC)OC(=O)c1cccc(OC)c1
InChIInChI=1S/C14H18O3/c1-4-5-7-11(2)17-14(15)12-8-6-9-13(10-12)16-3/h6,8-10H,2,4-5,7H2,1,3H3
InChIKeyOZXLZBIZMHOCAU-UHFFFAOYSA-N
XLogP3.56
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.29
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

non-1-en-2-yl benzoate
CID 18421349
methane;pentyl 3-methoxybenzoate
CID 175424879
1-(3-methoxyphenyl)tetradecan-1-one
CID 146007363
(4-methoxyphenyl) 3-butoxybenzoate
CID 23012333
2-butoxyethyl 3-methoxybenzenecarboperoxoate
CID 173266917
3-methoxy-N'-pentanoylbenzohydrazide
CID 3117671
5-(3-methoxyphenyl)hex-5-en-3-one
CID 143913597
pent-1-en-2-yl benzoate
CID 13444592
1-(3-methoxyphenyl)propan-1-one;propane
CID 142960525
1-methoxy-3-[5-(3-methoxyphenyl)hexa-1,5-dien-2-yl]benzene
CID 122403772
1-(3-methoxybenzoyl)peroxybutyl 3-methoxybenzenecarboperoxoate
CID 173265193
3-methoxy-N-octadecanoylbenzamide
CID 142668969

Frequently Asked Questions

What is the IUPAC name of hex-1-en-2-yl 3-methoxybenzoate?
The IUPAC name of hex-1-en-2-yl 3-methoxybenzoate (CID 73010414) is hex-1-en-2-yl 3-methoxybenzoate.
What is the SMILES notation for hex-1-en-2-yl 3-methoxybenzoate?
The canonical SMILES for hex-1-en-2-yl 3-methoxybenzoate is C=C(CCCC)OC(=O)c1cccc(OC)c1.
What is the InChIKey of hex-1-en-2-yl 3-methoxybenzoate?
The InChIKey is OZXLZBIZMHOCAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O3/c1-4-5-7-11(2)17-14(15)12-8-6-9-13(10-12)16-3/h6,8-10H,2,4-5,7H2,1,3H3.
What are the key properties of hex-1-en-2-yl 3-methoxybenzoate?
hex-1-en-2-yl 3-methoxybenzoate has a molecular weight of 234.29 g/mol, XLogP of 3.56, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for hex-1-en-2-yl 3-methoxybenzoate is sourced from PubChem (CID 73010414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).