4-chloro-1-phenylmethoxy-2-prop-2-enylnaphthalene

C20H17ClO — CID 68583368

IUPAC4-chloro-1-phenylmethoxy-2-prop-2-enylnaphthalene
SMILESC=CCc1cc(Cl)c2ccccc2c1OCc1ccccc1
InChIInChI=1S/C20H17ClO/c1-2-8-16-13-19(21)17-11-6-7-12-18(17)20(16)22-14-15-9-4-3-5-10-15/h2-7,9-13H,1,8,14H2
InChIKeyNSXFQFLBMGCXFG-UHFFFAOYSA-N
MW308.81 g/mol
LogP5.80
Rot. Bonds5

About 4-chloro-1-phenylmethoxy-2-prop-2-enylnaphthalene

4-chloro-1-phenylmethoxy-2-prop-2-enylnaphthalene (PubChem CID 68583368) has the molecular formula C20H17ClO and a molecular weight of 308.81 g/mol. Its IUPAC name is 4-chloro-1-phenylmethoxy-2-prop-2-enylnaphthalene.

Molecular Properties

Compound Name4-chloro-1-phenylmethoxy-2-prop-2-enylnaphthalene
PubChem CID68583368
Molecular FormulaC20H17ClO
Molecular Weight308.81 g/mol
Exact Mass308.10
IUPAC Name4-chloro-1-phenylmethoxy-2-prop-2-enylnaphthalene
SMILESC=CCc1cc(Cl)c2ccccc2c1OCc1ccccc1
InChIInChI=1S/C20H17ClO/c1-2-8-16-13-19(21)17-11-6-7-12-18(17)20(16)22-14-15-9-4-3-5-10-15/h2-7,9-13H,1,8,14H2
InChIKeyNSXFQFLBMGCXFG-UHFFFAOYSA-N
XLogP5.80
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.81
LogP ≤ 55.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1,5-dichloro-2-[[4-[(2,4-dichloro-6-prop-2-enylphenoxy)methyl]phenyl]methoxy]-3-prop-2-enylbenzene
CID 59551589
1-chloro-2-[[4-[(2-chloro-6-prop-2-enylphenoxy)methyl]phenyl]methoxy]-3-prop-2-enylbenzene
CID 59551586
1-chloro-4-fluoro-2-phenylmethoxy-3-prop-2-enylbenzene
CID 122657114
6-chloro-4-phenylmethoxy-5-prop-2-enyl-2,3-dihydro-1H-indene
CID 68584270
3-phenylmethoxy-4-prop-2-enylphenol
CID 174520142
5-ethyl-2-phenylmethoxy-3-prop-2-enylbenzaldehyde
CID 22039321
4-phenylmethoxy-1-prop-2-enoxy-2-prop-2-enylbenzene
CID 22261130
2-phenylmethoxy-3-prop-2-enylbenzene-1,4-diamine
CID 163549085
6-methoxy-3-phenylmethoxy-4-prop-2-enyltricyclo[6.2.2.02,7]dodeca-2,4,6-triene
CID 68584813
3,5-dichloro-4-[(4-phenylphenyl)methoxy]phenol
CID 54314779
(3,5-dichloro-4-phenylmethoxyphenyl)boronic acid
CID 4197353
4-methoxy-2-phenylmethoxy-1-prop-2-enylbenzene
CID 68966556

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-phenylmethoxy-2-prop-2-enylnaphthalene?
The IUPAC name of 4-chloro-1-phenylmethoxy-2-prop-2-enylnaphthalene (CID 68583368) is 4-chloro-1-phenylmethoxy-2-prop-2-enylnaphthalene.
What is the SMILES notation for 4-chloro-1-phenylmethoxy-2-prop-2-enylnaphthalene?
The canonical SMILES for 4-chloro-1-phenylmethoxy-2-prop-2-enylnaphthalene is C=CCc1cc(Cl)c2ccccc2c1OCc1ccccc1.
What is the InChIKey of 4-chloro-1-phenylmethoxy-2-prop-2-enylnaphthalene?
The InChIKey is NSXFQFLBMGCXFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClO/c1-2-8-16-13-19(21)17-11-6-7-12-18(17)20(16)22-14-15-9-4-3-5-10-15/h2-7,9-13H,1,8,14H2.
What are the key properties of 4-chloro-1-phenylmethoxy-2-prop-2-enylnaphthalene?
4-chloro-1-phenylmethoxy-2-prop-2-enylnaphthalene has a molecular weight of 308.81 g/mol, XLogP of 5.80, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-phenylmethoxy-2-prop-2-enylnaphthalene is sourced from PubChem (CID 68583368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).