(1R)-6-methoxy-1,10-dimethyl-3,4-dihydro-2H-anthracene-1-carbaldehyde

C18H20O2 — CID 10611969

IUPAC(1R)-6-methoxy-1,10-dimethyl-3,4-dihydro-2H-anthracene-1-carbaldehyde
SMILESCOc1ccc2cc3c(c(C)c2c1)CCC[C@@]3(C)C=O
InChIInChI=1S/C18H20O2/c1-12-15-5-4-8-18(2,11-19)17(15)9-13-6-7-14(20-3)10-16(12)13/h6-7,9-11H,4-5,8H2,1-3H3/t18-/m0/s1
InChIKeyBRVCWQSOVDHTJM-SFHVURJKSA-N
MW268.36 g/mol
LogP3.95
Rot. Bonds2

About (1R)-6-methoxy-1,10-dimethyl-3,4-dihydro-2H-anthracene-1-carbaldehyde

(1R)-6-methoxy-1,10-dimethyl-3,4-dihydro-2H-anthracene-1-carbaldehyde (PubChem CID 10611969) has the molecular formula C18H20O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is (1R)-6-methoxy-1,10-dimethyl-3,4-dihydro-2H-anthracene-1-carbaldehyde.

Molecular Properties

Compound Name(1R)-6-methoxy-1,10-dimethyl-3,4-dihydro-2H-anthracene-1-carbaldehyde
PubChem CID10611969
Molecular FormulaC18H20O2
Molecular Weight268.36 g/mol
Exact Mass268.15
IUPAC Name(1R)-6-methoxy-1,10-dimethyl-3,4-dihydro-2H-anthracene-1-carbaldehyde
SMILESCOc1ccc2cc3c(c(C)c2c1)CCC[C@@]3(C)C=O
InChIInChI=1S/C18H20O2/c1-12-15-5-4-8-18(2,11-19)17(15)9-13-6-7-14(20-3)10-16(12)13/h6-7,9-11H,4-5,8H2,1-3H3/t18-/m0/s1
InChIKeyBRVCWQSOVDHTJM-SFHVURJKSA-N
XLogP3.95
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1R)-6-methoxy-1,10-dimethyl-3,4-dihydro-2H-anthracene-1-carbaldehyde?
The IUPAC name of (1R)-6-methoxy-1,10-dimethyl-3,4-dihydro-2H-anthracene-1-carbaldehyde (CID 10611969) is (1R)-6-methoxy-1,10-dimethyl-3,4-dihydro-2H-anthracene-1-carbaldehyde.
What is the SMILES notation for (1R)-6-methoxy-1,10-dimethyl-3,4-dihydro-2H-anthracene-1-carbaldehyde?
The canonical SMILES for (1R)-6-methoxy-1,10-dimethyl-3,4-dihydro-2H-anthracene-1-carbaldehyde is COc1ccc2cc3c(c(C)c2c1)CCC[C@@]3(C)C=O.
What is the InChIKey of (1R)-6-methoxy-1,10-dimethyl-3,4-dihydro-2H-anthracene-1-carbaldehyde?
The InChIKey is BRVCWQSOVDHTJM-SFHVURJKSA-N. The full InChI is InChI=1S/C18H20O2/c1-12-15-5-4-8-18(2,11-19)17(15)9-13-6-7-14(20-3)10-16(12)13/h6-7,9-11H,4-5,8H2,1-3H3/t18-/m0/s1.
What are the key properties of (1R)-6-methoxy-1,10-dimethyl-3,4-dihydro-2H-anthracene-1-carbaldehyde?
(1R)-6-methoxy-1,10-dimethyl-3,4-dihydro-2H-anthracene-1-carbaldehyde has a molecular weight of 268.36 g/mol, XLogP of 3.95, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-6-methoxy-1,10-dimethyl-3,4-dihydro-2H-anthracene-1-carbaldehyde is sourced from PubChem (CID 10611969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).