4-methylidene-6-phenylmethoxy-2,3-dihydro-1H-isoquinoline

C17H17NO — CID 145043071

IUPAC4-methylidene-6-phenylmethoxy-2,3-dihydro-1H-isoquinoline
SMILESC=C1CNCc2ccc(OCc3ccccc3)cc21
InChIInChI=1S/C17H17NO/c1-13-10-18-11-15-7-8-16(9-17(13)15)19-12-14-5-3-2-4-6-14/h2-9,18H,1,10-12H2
InChIKeyAGDHJZNDGWTNED-UHFFFAOYSA-N
MW251.33 g/mol
LogP3.38
Rot. Bonds3

About 4-methylidene-6-phenylmethoxy-2,3-dihydro-1H-isoquinoline

4-methylidene-6-phenylmethoxy-2,3-dihydro-1H-isoquinoline (PubChem CID 145043071) has the molecular formula C17H17NO and a molecular weight of 251.33 g/mol. Its IUPAC name is 4-methylidene-6-phenylmethoxy-2,3-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name4-methylidene-6-phenylmethoxy-2,3-dihydro-1H-isoquinoline
PubChem CID145043071
Molecular FormulaC17H17NO
Molecular Weight251.33 g/mol
Exact Mass251.13
IUPAC Name4-methylidene-6-phenylmethoxy-2,3-dihydro-1H-isoquinoline
SMILESC=C1CNCc2ccc(OCc3ccccc3)cc21
InChIInChI=1S/C17H17NO/c1-13-10-18-11-15-7-8-16(9-17(13)15)19-12-14-5-3-2-4-6-14/h2-9,18H,1,10-12H2
InChIKeyAGDHJZNDGWTNED-UHFFFAOYSA-N
XLogP3.38
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

8-methylidene-3-phenylmethoxybicyclo[4.2.0]octa-1(6),2,4-triene
CID 58380051
8-methylidene-3-phenylmethoxybicyclo[4.2.0]octa-1(6),2,4-triene;4-phenylmethoxybicyclo[4.2.0]octa-1(6),2,4-trien-7-one
CID 160808164
ethane;6-phenylmethoxy-2,3-dihydroisoindol-1-one
CID 91072000
2-(2-hydroxy-5-phenylmethoxyphenyl)-4-phenylmethoxyphenol
CID 71613877
6-phenylmethoxy-2,3-dihydro-1H-indole
CID 18932839
6-phenylmethoxy-3H-isoindol-1-amine
CID 160873033
2,6-bis(phenylmethoxy)anthracene-9,10-dione
CID 147621413
3-methyl-7-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline
CID 62375582
2-(2-methoxy-4-phenylmethoxyphenyl)-5,6,7,8-tetrahydro-1,6-naphthyridine
CID 126619037
(2E)-2-(4-phenylmethoxy-7-bicyclo[4.2.0]octa-1(6),2,4-trienylidene)acetic acid
CID 68770096
2-benzyl-5-phenylmethoxy-1,3-dihydroisoindole
CID 171397259
1,1,4,4-tetramethyl-6-phenylmethoxy-2,3-dihydronaphthalene
CID 91488860

Frequently Asked Questions

What is the IUPAC name of 4-methylidene-6-phenylmethoxy-2,3-dihydro-1H-isoquinoline?
The IUPAC name of 4-methylidene-6-phenylmethoxy-2,3-dihydro-1H-isoquinoline (CID 145043071) is 4-methylidene-6-phenylmethoxy-2,3-dihydro-1H-isoquinoline.
What is the SMILES notation for 4-methylidene-6-phenylmethoxy-2,3-dihydro-1H-isoquinoline?
The canonical SMILES for 4-methylidene-6-phenylmethoxy-2,3-dihydro-1H-isoquinoline is C=C1CNCc2ccc(OCc3ccccc3)cc21.
What is the InChIKey of 4-methylidene-6-phenylmethoxy-2,3-dihydro-1H-isoquinoline?
The InChIKey is AGDHJZNDGWTNED-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO/c1-13-10-18-11-15-7-8-16(9-17(13)15)19-12-14-5-3-2-4-6-14/h2-9,18H,1,10-12H2.
What are the key properties of 4-methylidene-6-phenylmethoxy-2,3-dihydro-1H-isoquinoline?
4-methylidene-6-phenylmethoxy-2,3-dihydro-1H-isoquinoline has a molecular weight of 251.33 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylidene-6-phenylmethoxy-2,3-dihydro-1H-isoquinoline is sourced from PubChem (CID 145043071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).