4-chloro-2-hept-6-enoxy-1-methylbenzene

C14H19ClO — CID 107010573

IUPAC4-chloro-2-hept-6-enoxy-1-methylbenzene
SMILESC=CCCCCCOc1cc(Cl)ccc1C
InChIInChI=1S/C14H19ClO/c1-3-4-5-6-7-10-16-14-11-13(15)9-8-12(14)2/h3,8-9,11H,1,4-7,10H2,2H3
InChIKeyRVUOYVAUGMFSOO-UHFFFAOYSA-N
MW238.76 g/mol
LogP4.77
Rot. Bonds7

About 4-chloro-2-hept-6-enoxy-1-methylbenzene

4-chloro-2-hept-6-enoxy-1-methylbenzene (PubChem CID 107010573) has the molecular formula C14H19ClO and a molecular weight of 238.76 g/mol. Its IUPAC name is 4-chloro-2-hept-6-enoxy-1-methylbenzene.

Molecular Properties

Compound Name4-chloro-2-hept-6-enoxy-1-methylbenzene
PubChem CID107010573
Molecular FormulaC14H19ClO
Molecular Weight238.76 g/mol
Exact Mass238.11
IUPAC Name4-chloro-2-hept-6-enoxy-1-methylbenzene
SMILESC=CCCCCCOc1cc(Cl)ccc1C
InChIInChI=1S/C14H19ClO/c1-3-4-5-6-7-10-16-14-11-13(15)9-8-12(14)2/h3,8-9,11H,1,4-7,10H2,2H3
InChIKeyRVUOYVAUGMFSOO-UHFFFAOYSA-N
XLogP4.77
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.76
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-chloro-2-hept-6-enoxybenzoic acid
CID 107005942
2,4-dimethyl-1-pent-4-enoxybenzene
CID 64763519
2,6,11-tris(oct-7-enoxy)-3,7,10-tripentoxytriphenylene
CID 10485782
2-hept-6-enoxy-5-methylbenzenesulfonyl chloride
CID 107006365
1-methyl-4-tridec-12-enoxybenzene
CID 139447523
4-chloro-1-(4-chlorobutoxy)-2-methylbenzene
CID 12928638
2-(5-chloropentoxy)-1,4-dimethylbenzene
CID 43168528
1-chloro-4-(1-non-8-enoxyethyl)benzene
CID 155664436
N-[(3-chloro-4-hept-6-enoxyphenyl)methyl]ethanamine
CID 107006136
2-hept-6-enoxy-5-methylbenzoic acid
CID 107005947
(2-hept-6-enoxy-4-methoxyphenyl)methanol
CID 107007477
4-chloro-1-methyl-2-(2-propan-2-ylsulfonylethoxy)benzene
CID 106732640

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-hept-6-enoxy-1-methylbenzene?
The IUPAC name of 4-chloro-2-hept-6-enoxy-1-methylbenzene (CID 107010573) is 4-chloro-2-hept-6-enoxy-1-methylbenzene.
What is the SMILES notation for 4-chloro-2-hept-6-enoxy-1-methylbenzene?
The canonical SMILES for 4-chloro-2-hept-6-enoxy-1-methylbenzene is C=CCCCCCOc1cc(Cl)ccc1C.
What is the InChIKey of 4-chloro-2-hept-6-enoxy-1-methylbenzene?
The InChIKey is RVUOYVAUGMFSOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClO/c1-3-4-5-6-7-10-16-14-11-13(15)9-8-12(14)2/h3,8-9,11H,1,4-7,10H2,2H3.
What are the key properties of 4-chloro-2-hept-6-enoxy-1-methylbenzene?
4-chloro-2-hept-6-enoxy-1-methylbenzene has a molecular weight of 238.76 g/mol, XLogP of 4.77, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-hept-6-enoxy-1-methylbenzene is sourced from PubChem (CID 107010573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).