4-[(7-methoxyspiro[1,3-benzodioxole-2,1'-cyclopentane]-4-yl)methyl]phenol

C19H20O4 — CID 70143948

IUPAC4-[(7-methoxyspiro[1,3-benzodioxole-2,1'-cyclopentane]-4-yl)methyl]phenol
SMILESCOc1ccc(Cc2ccc(O)cc2)c2c1OC1(CCCC1)O2
InChIInChI=1S/C19H20O4/c1-21-16-9-6-14(12-13-4-7-15(20)8-5-13)17-18(16)23-19(22-17)10-2-3-11-19/h4-9,20H,2-3,10-12H2,1H3
InChIKeyPEFZJLKBTUPHQN-UHFFFAOYSA-N
MW312.37 g/mol
LogP4.03
Rot. Bonds3

About 4-[(7-methoxyspiro[1,3-benzodioxole-2,1'-cyclopentane]-4-yl)methyl]phenol

4-[(7-methoxyspiro[1,3-benzodioxole-2,1'-cyclopentane]-4-yl)methyl]phenol (PubChem CID 70143948) has the molecular formula C19H20O4 and a molecular weight of 312.37 g/mol. Its IUPAC name is 4-[(7-methoxyspiro[1,3-benzodioxole-2,1'-cyclopentane]-4-yl)methyl]phenol.

Molecular Properties

Compound Name4-[(7-methoxyspiro[1,3-benzodioxole-2,1'-cyclopentane]-4-yl)methyl]phenol
PubChem CID70143948
Molecular FormulaC19H20O4
Molecular Weight312.37 g/mol
Exact Mass312.14
IUPAC Name4-[(7-methoxyspiro[1,3-benzodioxole-2,1'-cyclopentane]-4-yl)methyl]phenol
SMILESCOc1ccc(Cc2ccc(O)cc2)c2c1OC1(CCCC1)O2
InChIInChI=1S/C19H20O4/c1-21-16-9-6-14(12-13-4-7-15(20)8-5-13)17-18(16)23-19(22-17)10-2-3-11-19/h4-9,20H,2-3,10-12H2,1H3
InChIKeyPEFZJLKBTUPHQN-UHFFFAOYSA-N
XLogP4.03
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(7-methoxyspiro[1,3-benzodioxole-2,1'-cyclopentane]-4-yl)methyl]phenol?
The IUPAC name of 4-[(7-methoxyspiro[1,3-benzodioxole-2,1'-cyclopentane]-4-yl)methyl]phenol (CID 70143948) is 4-[(7-methoxyspiro[1,3-benzodioxole-2,1'-cyclopentane]-4-yl)methyl]phenol.
What is the SMILES notation for 4-[(7-methoxyspiro[1,3-benzodioxole-2,1'-cyclopentane]-4-yl)methyl]phenol?
The canonical SMILES for 4-[(7-methoxyspiro[1,3-benzodioxole-2,1'-cyclopentane]-4-yl)methyl]phenol is COc1ccc(Cc2ccc(O)cc2)c2c1OC1(CCCC1)O2.
What is the InChIKey of 4-[(7-methoxyspiro[1,3-benzodioxole-2,1'-cyclopentane]-4-yl)methyl]phenol?
The InChIKey is PEFZJLKBTUPHQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O4/c1-21-16-9-6-14(12-13-4-7-15(20)8-5-13)17-18(16)23-19(22-17)10-2-3-11-19/h4-9,20H,2-3,10-12H2,1H3.
What are the key properties of 4-[(7-methoxyspiro[1,3-benzodioxole-2,1'-cyclopentane]-4-yl)methyl]phenol?
4-[(7-methoxyspiro[1,3-benzodioxole-2,1'-cyclopentane]-4-yl)methyl]phenol has a molecular weight of 312.37 g/mol, XLogP of 4.03, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(7-methoxyspiro[1,3-benzodioxole-2,1'-cyclopentane]-4-yl)methyl]phenol is sourced from PubChem (CID 70143948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).