2-methoxy-5-[(1S,2R)-2-(3,4,5-trimethoxyphenyl)cyclopropyl]phenol

C19H22O5 — CID 71524985

IUPAC2-methoxy-5-[(1S,2R)-2-(3,4,5-trimethoxyphenyl)cyclopropyl]phenol
SMILESCOc1ccc([C@H]2C[C@H]2c2cc(OC)c(OC)c(OC)c2)cc1O
InChIInChI=1S/C19H22O5/c1-21-16-6-5-11(7-15(16)20)13-10-14(13)12-8-17(22-2)19(24-4)18(9-12)23-3/h5-9,13-14,20H,10H2,1-4H3/t13-,14+/m1/s1
InChIKeyUDGSMCKILRWBIJ-KGLIPLIRSA-N
MW330.38 g/mol
LogP3.70
Rot. Bonds6

About 2-methoxy-5-[(1S,2R)-2-(3,4,5-trimethoxyphenyl)cyclopropyl]phenol

2-methoxy-5-[(1S,2R)-2-(3,4,5-trimethoxyphenyl)cyclopropyl]phenol (PubChem CID 71524985) has the molecular formula C19H22O5 and a molecular weight of 330.38 g/mol. Its IUPAC name is 2-methoxy-5-[(1S,2R)-2-(3,4,5-trimethoxyphenyl)cyclopropyl]phenol.

Molecular Properties

Compound Name2-methoxy-5-[(1S,2R)-2-(3,4,5-trimethoxyphenyl)cyclopropyl]phenol
PubChem CID71524985
Molecular FormulaC19H22O5
Molecular Weight330.38 g/mol
Exact Mass330.15
IUPAC Name2-methoxy-5-[(1S,2R)-2-(3,4,5-trimethoxyphenyl)cyclopropyl]phenol
SMILESCOc1ccc([C@H]2C[C@H]2c2cc(OC)c(OC)c(OC)c2)cc1O
InChIInChI=1S/C19H22O5/c1-21-16-6-5-11(7-15(16)20)13-10-14(13)12-8-17(22-2)19(24-4)18(9-12)23-3/h5-9,13-14,20H,10H2,1-4H3/t13-,14+/m1/s1
InChIKeyUDGSMCKILRWBIJ-KGLIPLIRSA-N
XLogP3.70
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-[(1S,2R)-2-(3,4,5-trimethoxyphenyl)cyclopropyl]phenol?
The IUPAC name of 2-methoxy-5-[(1S,2R)-2-(3,4,5-trimethoxyphenyl)cyclopropyl]phenol (CID 71524985) is 2-methoxy-5-[(1S,2R)-2-(3,4,5-trimethoxyphenyl)cyclopropyl]phenol.
What is the SMILES notation for 2-methoxy-5-[(1S,2R)-2-(3,4,5-trimethoxyphenyl)cyclopropyl]phenol?
The canonical SMILES for 2-methoxy-5-[(1S,2R)-2-(3,4,5-trimethoxyphenyl)cyclopropyl]phenol is COc1ccc([C@H]2C[C@H]2c2cc(OC)c(OC)c(OC)c2)cc1O.
What is the InChIKey of 2-methoxy-5-[(1S,2R)-2-(3,4,5-trimethoxyphenyl)cyclopropyl]phenol?
The InChIKey is UDGSMCKILRWBIJ-KGLIPLIRSA-N. The full InChI is InChI=1S/C19H22O5/c1-21-16-6-5-11(7-15(16)20)13-10-14(13)12-8-17(22-2)19(24-4)18(9-12)23-3/h5-9,13-14,20H,10H2,1-4H3/t13-,14+/m1/s1.
What are the key properties of 2-methoxy-5-[(1S,2R)-2-(3,4,5-trimethoxyphenyl)cyclopropyl]phenol?
2-methoxy-5-[(1S,2R)-2-(3,4,5-trimethoxyphenyl)cyclopropyl]phenol has a molecular weight of 330.38 g/mol, XLogP of 3.70, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-[(1S,2R)-2-(3,4,5-trimethoxyphenyl)cyclopropyl]phenol is sourced from PubChem (CID 71524985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).